Natural Product: NPC95755

Natural Product ID:  NPC95755
Common Name:   2,3-Dihydro-Benzofuran
IUPAC Name:   2,3-dihydro-1-benzofuran
Synonyms:   2,3-Dihydro-Benzofuran
Molecular Formula:   C8H8O
Standard InCHIKey:  HBEDSQVIWPRPAY-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C8H8O/c1-2-4-8-7(3-1)5-6-9-8/h1-4H,5-6H2
Canonical SMILES:  c1ccc2c(c1)OCC2
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO7513 Cannabis sativa Species Cannabaceae Eukaryota TCMSP*
NPO29622 Siphonostegiae herba NA NA NA TCMSP*
NPO29677 Scutellariae barbatae herba NA NA NA TCMSP*
NPO10477 Bomboo juice NA NA NA TCMSP*
NPO5446 Campsis flos Species Bignoniaceae Eukaryota TCMSP*
NPO14715 Trollius chinensis Species Ranunculaceae Eukaryota TCMSP*
NPO29555 Evodiae fructus NA NA NA TCMSP*
NPO29546 Eriobotryae folium NA NA NA TCMSP*
NPO12588 Cornus officinalis Species Cornaceae Eukaryota TCMSP*
NPO20060 Styrax Species Styracaceae Eukaryota TCMSP*
NPO14121 Panax ginseng Species Araliaceae Eukaryota TCMSP*
NPO29605 Microctis folium NA NA NA TCMSP*
NPO17024 Vitis vinifera Species Vitaceae Eukaryota PMID[25518943]
NPO1797 Homo sapiens Species Hominidae Eukaryota urine Metabolomics,2012,8:323-334
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TCM_Taiwan*
NPO15730 Citrus medica Species Rutaceae Eukaryota TM-MC*
NPO23628 Imperata cylindrica Species Poaceae Eukaryota TM-MC*
NPO15479 Oldenlandia diffusa Species Rubiaceae Eukaryota TM-MC*
NPO8101 Rehmannia glutinosa Species Orobanchaceae Eukaryota TM-MC*
NPO11518.1 Strophanthus sarmentosus var. senegambiae Varieties Apocynaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT208 Individual Protein Cytochrome P450 1A2 Homo sapiens IC50 = 1200000 nM 15916432

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC95755 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
0.89 High Similarity NPC326801
0.883 High Similarity NPC321956
0.8723 High Similarity NPC71853
0.87 High Similarity NPC108875
0.87 High Similarity NPC38079
0.8673 High Similarity NPC471576
0.8627 High Similarity NPC194034
0.8617 High Similarity NPC99886
0.8617 High Similarity NPC8002
0.8617 High Similarity NPC259134
0.8617 High Similarity NPC177844
0.8614 High Similarity NPC473855
0.8614 High Similarity NPC475269
0.8614 High Similarity NPC470393
0.85 High Similarity NPC51633
0.85 High Similarity NPC84325
0.8485 Intermediate Similarity NPC100870
0.8462 Intermediate Similarity NPC149545
0.8431 Intermediate Similarity NPC8302
0.8416 Intermediate Similarity NPC192596
0.8416 Intermediate Similarity NPC24327
0.8416 Intermediate Similarity NPC12870
0.8384 Intermediate Similarity NPC470161
0.8333 Intermediate Similarity NPC283546
0.8317 Intermediate Similarity NPC307425
0.8265 Intermediate Similarity NPC471581
0.8252 Intermediate Similarity NPC139891
0.8252 Intermediate Similarity NPC128730
0.8218 Intermediate Similarity NPC107101
0.8208 Intermediate Similarity NPC25067
0.8208 Intermediate Similarity NPC231251
0.8208 Intermediate Similarity NPC106141
0.8208 Intermediate Similarity NPC88868
0.819 Intermediate Similarity NPC291837
0.8173 Intermediate Similarity NPC176971
0.8148 Intermediate Similarity NPC90903
0.8137 Intermediate Similarity NPC300166
0.8131 Intermediate Similarity NPC233238
0.8108 Intermediate Similarity NPC206007
0.8095 Intermediate Similarity NPC233320
0.8095 Intermediate Similarity NPC258171
0.8095 Intermediate Similarity NPC157473
0.8095 Intermediate Similarity NPC151530
0.8095 Intermediate Similarity NPC186469
0.8085 Intermediate Similarity NPC125306
0.8077 Intermediate Similarity NPC227255
0.8077 Intermediate Similarity NPC238115
0.8073 Intermediate Similarity NPC161696
0.8058 Intermediate Similarity NPC179686
0.8058 Intermediate Similarity NPC305205
0.8058 Intermediate Similarity NPC298224
0.8056 Intermediate Similarity NPC280760
0.8053 Intermediate Similarity NPC475529
0.8039 Intermediate Similarity NPC13755
0.802 Intermediate Similarity NPC175298
0.8019 Intermediate Similarity NPC241549
0.8 Intermediate Similarity NPC301321
0.8 Intermediate Similarity NPC30416
0.7982 Intermediate Similarity NPC26524
0.7981 Intermediate Similarity NPC241224
0.7981 Intermediate Similarity NPC292792
0.7981 Intermediate Similarity NPC38209
0.7959 Intermediate Similarity NPC318429
0.7946 Intermediate Similarity NPC329980
0.7946 Intermediate Similarity NPC283616
0.7946 Intermediate Similarity NPC74821
0.7944 Intermediate Similarity NPC259554
0.7935 Intermediate Similarity NPC124576
0.7928 Intermediate Similarity NPC290470
0.7928 Intermediate Similarity NPC154256
0.7925 Intermediate Similarity NPC251306
0.7917 Intermediate Similarity NPC155393
0.7913 Intermediate Similarity NPC150026
0.7909 Intermediate Similarity NPC235250
0.7909 Intermediate Similarity NPC87563
0.7905 Intermediate Similarity NPC473393
0.7895 Intermediate Similarity NPC96423
0.789 Intermediate Similarity NPC474920
0.789 Intermediate Similarity NPC115379
0.7876 Intermediate Similarity NPC98748
0.7876 Intermediate Similarity NPC172253
0.7876 Intermediate Similarity NPC295259
0.7876 Intermediate Similarity NPC59561
0.787 Intermediate Similarity NPC473809
0.787 Intermediate Similarity NPC141068
0.787 Intermediate Similarity NPC31279
0.787 Intermediate Similarity NPC46844
0.7857 Intermediate Similarity NPC142042
0.7845 Intermediate Similarity NPC141252
0.7845 Intermediate Similarity NPC11799
0.7835 Intermediate Similarity NPC307235
0.7835 Intermediate Similarity NPC407
0.783 Intermediate Similarity NPC1065
0.783 Intermediate Similarity NPC113457
0.783 Intermediate Similarity NPC326447
0.7818 Intermediate Similarity NPC301735
0.7818 Intermediate Similarity NPC303522
0.781 Intermediate Similarity NPC109637
0.7807 Intermediate Similarity NPC246214
0.7807 Intermediate Similarity NPC93398
0.7807 Intermediate Similarity NPC258979
0.7807 Intermediate Similarity NPC8283
0.7798 Intermediate Similarity NPC275627
0.7798 Intermediate Similarity NPC195873
0.7798 Intermediate Similarity NPC55300
0.7798 Intermediate Similarity NPC266932
0.7788 Intermediate Similarity NPC96705
0.7788 Intermediate Similarity NPC152159
0.7788 Intermediate Similarity NPC310905
0.7788 Intermediate Similarity NPC12714
0.7788 Intermediate Similarity NPC293424
0.7778 Intermediate Similarity NPC474272
0.7778 Intermediate Similarity NPC256015
0.7778 Intermediate Similarity NPC294156
0.7768 Intermediate Similarity NPC128633
0.7748 Intermediate Similarity NPC470837
0.7739 Intermediate Similarity NPC473875
0.7739 Intermediate Similarity NPC322569
0.7736 Intermediate Similarity NPC42383
0.7727 Intermediate Similarity NPC199462
0.7727 Intermediate Similarity NPC266116
0.7727 Intermediate Similarity NPC165646
0.7719 Intermediate Similarity NPC281356
0.7719 Intermediate Similarity NPC32152
0.7712 Intermediate Similarity NPC81641
0.7712 Intermediate Similarity NPC470858
0.7708 Intermediate Similarity NPC23837
0.7706 Intermediate Similarity NPC137685
0.7685 Intermediate Similarity NPC75440
0.7685 Intermediate Similarity NPC97811
0.7679 Intermediate Similarity NPC473718
0.7672 Intermediate Similarity NPC54972
0.7672 Intermediate Similarity NPC193364
0.7672 Intermediate Similarity NPC314329
0.766 Intermediate Similarity NPC165212
0.7658 Intermediate Similarity NPC53953
0.7658 Intermediate Similarity NPC35344
0.7658 Intermediate Similarity NPC141003
0.7658 Intermediate Similarity NPC279916
0.7652 Intermediate Similarity NPC474131
0.7652 Intermediate Similarity NPC193193
0.7652 Intermediate Similarity NPC232295
0.7652 Intermediate Similarity NPC31314
0.7647 Intermediate Similarity NPC234109
0.7647 Intermediate Similarity NPC471215
0.7647 Intermediate Similarity NPC188327
0.7647 Intermediate Similarity NPC262573
0.7642 Intermediate Similarity NPC12987
0.7642 Intermediate Similarity NPC2518
0.7642 Intermediate Similarity NPC130817
0.7642 Intermediate Similarity NPC474603
0.7636 Intermediate Similarity NPC470723
0.7636 Intermediate Similarity NPC245552
0.7632 Intermediate Similarity NPC265547
0.7632 Intermediate Similarity NPC32298
0.7629 Intermediate Similarity NPC286904
0.7615 Intermediate Similarity NPC234639
0.7615 Intermediate Similarity NPC127326
0.7611 Intermediate Similarity NPC69539
0.7611 Intermediate Similarity NPC33717
0.7607 Intermediate Similarity NPC100099
0.7607 Intermediate Similarity NPC36016
0.7607 Intermediate Similarity NPC188997
0.76 Intermediate Similarity NPC47950
0.76 Intermediate Similarity NPC300017
0.7593 Intermediate Similarity NPC227894
0.7589 Intermediate Similarity NPC252004
0.7586 Intermediate Similarity NPC212559
0.7586 Intermediate Similarity NPC235190
0.7586 Intermediate Similarity NPC163200
0.7586 Intermediate Similarity NPC180006
0.7583 Intermediate Similarity NPC98745
0.757 Intermediate Similarity NPC288760
0.7568 Intermediate Similarity NPC98372
0.7565 Intermediate Similarity NPC137710
0.7565 Intermediate Similarity NPC471449
0.7565 Intermediate Similarity NPC298796
0.7565 Intermediate Similarity NPC35744
0.7565 Intermediate Similarity NPC54243
0.7565 Intermediate Similarity NPC43435
0.7565 Intermediate Similarity NPC51341
0.7563 Intermediate Similarity NPC470510
0.7545 Intermediate Similarity NPC2682
0.7545 Intermediate Similarity NPC475852
0.7545 Intermediate Similarity NPC303521
0.7544 Intermediate Similarity NPC238176
0.7544 Intermediate Similarity NPC187993
0.7544 Intermediate Similarity NPC217423
0.7544 Intermediate Similarity NPC183154
0.7544 Intermediate Similarity NPC263754
0.7544 Intermediate Similarity NPC45104
0.7542 Intermediate Similarity NPC38761
0.7542 Intermediate Similarity NPC261992
0.7542 Intermediate Similarity NPC76465
0.7525 Intermediate Similarity NPC306074
0.7523 Intermediate Similarity NPC169450
0.7523 Intermediate Similarity NPC201959
0.7522 Intermediate Similarity NPC283169
0.7522 Intermediate Similarity NPC51345
0.7522 Intermediate Similarity NPC296526

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC95755 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8627 High Similarity NPD290 Approved
0.8365 Intermediate Similarity NPD2684 Approved
0.835 Intermediate Similarity NPD968 Approved
0.8252 Intermediate Similarity NPD9697 Approved
0.8165 Intermediate Similarity NPD2557 Approved
0.8056 Intermediate Similarity NPD821 Approved
0.8056 Intermediate Similarity NPD7843 Approved
0.7982 Intermediate Similarity NPD594 Approved
0.7982 Intermediate Similarity NPD592 Approved
0.7982 Intermediate Similarity NPD1241 Discontinued
0.7959 Intermediate Similarity NPD9365 Approved
0.7946 Intermediate Similarity NPD1548 Phase 1
0.7876 Intermediate Similarity NPD3444 Approved
0.7876 Intermediate Similarity NPD3445 Approved
0.7876 Intermediate Similarity NPD3049 Approved
0.7876 Intermediate Similarity NPD3443 Approved
0.7838 Intermediate Similarity NPD6671 Approved
0.7838 Intermediate Similarity NPD7157 Approved
0.783 Intermediate Similarity NPD3134 Approved
0.7807 Intermediate Similarity NPD2554 Approved
0.7807 Intermediate Similarity NPD2556 Approved
0.7788 Intermediate Similarity NPD1182 Approved
0.7768 Intermediate Similarity NPD3596 Phase 2
0.7757 Intermediate Similarity NPD1358 Approved
0.7739 Intermediate Similarity NPD3496 Discontinued
0.7727 Intermediate Similarity NPD5535 Approved
0.7672 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7672 Intermediate Similarity NPD1610 Phase 2
0.7652 Intermediate Similarity NPD1778 Approved
0.7636 Intermediate Similarity NPD1137 Approved
0.7636 Intermediate Similarity NPD1139 Approved
0.7632 Intermediate Similarity NPD2486 Discontinued
0.7632 Intermediate Similarity NPD6581 Approved
0.7632 Intermediate Similarity NPD6580 Approved
0.7615 Intermediate Similarity NPD5451 Approved
0.7607 Intermediate Similarity NPD1840 Phase 2
0.7589 Intermediate Similarity NPD595 Approved
0.7589 Intermediate Similarity NPD593 Approved
0.7583 Intermediate Similarity NPD1712 Approved
0.7568 Intermediate Similarity NPD1138 Approved
0.7565 Intermediate Similarity NPD5691 Approved
0.7565 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7521 Intermediate Similarity NPD1091 Approved
0.75 Intermediate Similarity NPD5846 Approved
0.75 Intermediate Similarity NPD6516 Phase 2
0.7478 Intermediate Similarity NPD1894 Discontinued
0.7477 Intermediate Similarity NPD228 Approved
0.7438 Intermediate Similarity NPD2861 Phase 2
0.7436 Intermediate Similarity NPD3294 Phase 2
0.7417 Intermediate Similarity NPD1770 Clinical (unspecified phase)
0.7417 Intermediate Similarity NPD1794 Approved
0.7414 Intermediate Similarity NPD5585 Approved
0.7414 Intermediate Similarity NPD6382 Discontinued
0.7395 Intermediate Similarity NPD5327 Phase 3
0.7373 Intermediate Similarity NPD422 Phase 1
0.7373 Intermediate Similarity NPD1611 Approved
0.7368 Intermediate Similarity NPD709 Approved
0.7355 Intermediate Similarity NPD3691 Phase 2
0.7355 Intermediate Similarity NPD558 Phase 2
0.7355 Intermediate Similarity NPD3690 Phase 2
0.7355 Intermediate Similarity NPD7018 Phase 2
0.7345 Intermediate Similarity NPD5283 Phase 1
0.7311 Intermediate Similarity NPD2231 Phase 2
0.7311 Intermediate Similarity NPD2235 Phase 2
0.7308 Intermediate Similarity NPD844 Approved
0.729 Intermediate Similarity NPD291 Approved
0.7282 Intermediate Similarity NPD845 Approved
0.7273 Intermediate Similarity NPD5373 Approved
0.7273 Intermediate Similarity NPD5374 Approved
0.7265 Intermediate Similarity NPD2594 Approved
0.7265 Intermediate Similarity NPD2595 Approved
0.7258 Intermediate Similarity NPD1336 Approved
0.725 Intermediate Similarity NPD2429 Approved
0.725 Intermediate Similarity NPD6539 Approved
0.725 Intermediate Similarity NPD6582 Phase 2
0.725 Intermediate Similarity NPD3685 Discontinued
0.725 Intermediate Similarity NPD6543 Approved
0.725 Intermediate Similarity NPD6540 Phase 3
0.725 Intermediate Similarity NPD2428 Approved
0.725 Intermediate Similarity NPD6542 Approved
0.725 Intermediate Similarity NPD6583 Phase 3
0.7238 Intermediate Similarity NPD288 Approved
0.7236 Intermediate Similarity NPD6832 Phase 2
0.7236 Intermediate Similarity NPD4908 Phase 1
0.7228 Intermediate Similarity NPD9295 Approved
0.7227 Intermediate Similarity NPD3705 Approved
0.7217 Intermediate Similarity NPD6387 Discontinued
0.7213 Intermediate Similarity NPD1019 Discontinued
0.7203 Intermediate Similarity NPD17 Approved
0.7203 Intermediate Similarity NPD2107 Clinical (unspecified phase)
0.7203 Intermediate Similarity NPD4626 Approved
0.72 Intermediate Similarity NPD3162 Approved
0.72 Intermediate Similarity NPD3163 Approved
0.719 Intermediate Similarity NPD8651 Approved
0.719 Intermediate Similarity NPD6541 Approved
0.719 Intermediate Similarity NPD6696 Suspended
0.719 Intermediate Similarity NPD6538 Approved
0.7172 Intermediate Similarity NPD111 Approved
0.7167 Intermediate Similarity NPD9717 Approved
0.7165 Intermediate Similarity NPD2157 Approved
0.7156 Intermediate Similarity NPD9501 Approved
0.7154 Intermediate Similarity NPD2237 Approved
0.7131 Intermediate Similarity NPD1818 Approved
0.7131 Intermediate Similarity NPD1817 Approved
0.7131 Intermediate Similarity NPD1820 Approved
0.7131 Intermediate Similarity NPD2797 Approved
0.7131 Intermediate Similarity NPD1819 Approved
0.7131 Intermediate Similarity NPD4098 Discontinued
0.7131 Intermediate Similarity NPD3266 Approved
0.7131 Intermediate Similarity NPD3267 Approved
0.712 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.712 Intermediate Similarity NPD6798 Discontinued
0.7119 Intermediate Similarity NPD1357 Approved
0.7107 Intermediate Similarity NPD4359 Approved
0.7107 Intermediate Similarity NPD4749 Approved
0.7087 Intermediate Similarity NPD654 Phase 3
0.7087 Intermediate Similarity NPD6355 Discontinued
0.7083 Intermediate Similarity NPD1535 Discovery
0.7083 Intermediate Similarity NPD776 Approved
0.7073 Intermediate Similarity NPD6584 Phase 3
0.7063 Intermediate Similarity NPD4474 Approved
0.7063 Intermediate Similarity NPD7477 Discontinued
0.7063 Intermediate Similarity NPD4475 Approved
0.7049 Intermediate Similarity NPD3225 Approved
0.7048 Intermediate Similarity NPD2933 Approved
0.7048 Intermediate Similarity NPD2934 Approved
0.7048 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.7037 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1608 Approved
0.7025 Intermediate Similarity NPD1244 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD1481 Phase 2
0.7016 Intermediate Similarity NPD454 Approved
0.7008 Intermediate Similarity NPD4060 Phase 1
0.7008 Intermediate Similarity NPD3597 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD1613 Approved
0.6992 Remote Similarity NPD1203 Approved
0.6992 Remote Similarity NPD6362 Approved
0.6984 Remote Similarity NPD1048 Approved
0.6984 Remote Similarity NPD6410 Clinical (unspecified phase)
0.6981 Remote Similarity NPD1809 Phase 2
0.6981 Remote Similarity NPD2859 Approved
0.6981 Remote Similarity NPD2860 Approved
0.6977 Remote Similarity NPD7119 Phase 2
0.6977 Remote Similarity NPD696 Discontinued
0.6975 Remote Similarity NPD1651 Approved
0.6972 Remote Similarity NPD846 Approved
0.6972 Remote Similarity NPD940 Approved
0.6967 Remote Similarity NPD4129 Approved
0.6967 Remote Similarity NPD3600 Clinical (unspecified phase)
0.6964 Remote Similarity NPD9624 Approved
0.6964 Remote Similarity NPD9552 Approved
0.696 Remote Similarity NPD1529 Clinical (unspecified phase)
0.696 Remote Similarity NPD1008 Clinical (unspecified phase)
0.696 Remote Similarity NPD5752 Clinical (unspecified phase)
0.6953 Remote Similarity NPD4622 Approved
0.6953 Remote Similarity NPD1341 Clinical (unspecified phase)
0.6953 Remote Similarity NPD4618 Approved
0.6929 Remote Similarity NPD3058 Clinical (unspecified phase)
0.6929 Remote Similarity NPD1726 Clinical (unspecified phase)
0.6923 Remote Similarity NPD3846 Clinical (unspecified phase)
0.6923 Remote Similarity NPD7033 Discontinued
0.6917 Remote Similarity NPD2423 Clinical (unspecified phase)
0.6917 Remote Similarity NPD2668 Approved
0.6917 Remote Similarity NPD2667 Approved
0.6911 Remote Similarity NPD7258 Clinical (unspecified phase)
0.6905 Remote Similarity NPD5746 Approved
0.6905 Remote Similarity NPD3166 Approved
0.6905 Remote Similarity NPD3167 Approved
0.6905 Remote Similarity NPD3164 Approved
0.6905 Remote Similarity NPD4625 Phase 3
0.6905 Remote Similarity NPD6179 Discontinued
0.6905 Remote Similarity NPD3165 Approved
0.6905 Remote Similarity NPD5163 Phase 2
0.6897 Remote Similarity NPD1398 Phase 1
0.6894 Remote Similarity NPD1372 Clinical (unspecified phase)
0.6887 Remote Similarity NPD9296 Approved
0.6885 Remote Similarity NPD2232 Approved
0.6885 Remote Similarity NPD2230 Approved
0.6885 Remote Similarity NPD2233 Approved
0.688 Remote Similarity NPD1530 Clinical (unspecified phase)
0.6875 Remote Similarity NPD9294 Approved
0.6875 Remote Similarity NPD4140 Approved
0.6875 Remote Similarity NPD6225 Clinical (unspecified phase)
0.686 Remote Similarity NPD3847 Discontinued
0.6855 Remote Similarity NPD3567 Approved
0.6855 Remote Similarity NPD987 Approved
0.6855 Remote Similarity NPD3568 Approved
0.685 Remote Similarity NPD3268 Approved
0.685 Remote Similarity NPD3056 Clinical (unspecified phase)
0.685 Remote Similarity NPD6812 Clinical (unspecified phase)
0.685 Remote Similarity NPD1296 Phase 2
0.685 Remote Similarity NPD3374 Clinical (unspecified phase)
0.6846 Remote Similarity NPD5688 Approved
0.6846 Remote Similarity NPD2200 Suspended
0.6846 Remote Similarity NPD5689 Approved
0.6842 Remote Similarity NPD556 Approved
0.6825 Remote Similarity NPD600 Approved
0.6825 Remote Similarity NPD596 Approved

Structure

External Identifiers

PubChem CID   10329
ChEMBL   CHEMBL370688
ZINC  

Physicochemical Properties

Molecular Weight:  120.06
ALogP:  0.1131
MLogP:  2.23
XLogP:  2.4
# Rotatable Bonds:  0
Polar Surface Area:  9.23
# H-Bond Aceptor:  0
# H-Bond Donor:  0
# Rings:  2
# Heavy Atoms:  9

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs