Natural Product: NPC31799

Natural Product ID:  NPC31799
Common Name:   Digiferruginol
IUPAC Name:   1-hydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Synonyms:   Digiferruginol
Molecular Formula:   C15H10O4
Standard InCHIKey:  JCZCSQSSSAHDCB-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C15H10O4/c16-7-8-5-6-11-12(13(8)17)15(19)10-4-2-1-3-9(10)14(11)18/h1-6,16-17H,7H2
Canonical SMILES:  OCc1ccc2c(c1O)C(=O)c1c(C2=O)cccc1
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
NPO23213 Bistorta officinalis Species Polygonaceae Eukaryota TCMID*
NPO28450 Phyllanthus emblica Species Phyllanthaceae Eukaryota TCMID*
NPO11242 Gynochthodes parvifolia Species Rubiaceae Eukaryota TCMID*
NPO3011 Rubia wallichiana Species Rubiaceae Eukaryota TCMID*
NPO3942 Geranium pratense Species Geraniaceae Eukaryota TCMID*
NPO15699 Damnacanthus indicus Species Rubiaceae Eukaryota TCMID*
NPO5095 Digitalis ferruginea Species Plantaginaceae Eukaryota TCMID*
NPO25089 Cinchona calisaya Species Rubiaceae Eukaryota TCMID*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TCMID*
NPO26859 Solanum curtipes Species Solanaceae Eukaryota UNPD*
NPO13324 Euphorbia ingens Species Euphorbiaceae Eukaryota UNPD*
NPO13446 Stachys recta Species Lamiaceae Eukaryota UNPD*
NPO861 Siphonaria funiculata Species Siphonariidae Eukaryota UNPD*
NPO15699 Damnacanthus indicus Species Rubiaceae Eukaryota TCM_Taiwan*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TCM_Taiwan*
NPO30377 Cinchona ledgeriana Species Rubiaceae Eukaryota TCM_Taiwan*
NPO30900 Morinda parvifolia Species Rubiaceae Eukaryota TCM_Taiwan*
NPO30972 Morinda officinalis Species Rubiaceae Eukaryota TCM_Taiwan*
NPO15917 Monilinia fructigena Species Sclerotiniaceae Eukaryota UNPD*
NPO11734 Chara corallina Species Characeae Eukaryota UNPD*
NPO2868 Perna viridis Species Mytilidae Eukaryota UNPD*
NPO19092 Morindae officinalis radix NA NA NA TCMSP*
NPO26542 Rubia cordifolia Species Rubiaceae Eukaryota TCMSP*
NPO16765 Knoxia valerianoides Species Rubiaceae Eukaryota TM-MC*
NPO16138 Cinchona sp. Species Rubiaceae Eukaryota TCMID*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT91 Cell Line KB Homo sapiens ED50 = 0.09 ug/ml 3841556

  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 NPC31799 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
0.968 High Similarity NPC199253
0.968 High Similarity NPC136588
0.9528 High Similarity NPC70622
0.9453 High Similarity NPC52407
0.9449 High Similarity NPC93015
0.9355 High Similarity NPC142956
0.9274 High Similarity NPC375356
0.9213 High Similarity NPC282923
0.9194 High Similarity NPC300274
0.9173 High Similarity NPC190457
0.9127 High Similarity NPC103540
0.9062 High Similarity NPC48248
0.9055 High Similarity NPC96915
0.9037 High Similarity NPC305845
0.9037 High Similarity NPC204045
0.9023 High Similarity NPC53414
0.9023 High Similarity NPC53206
0.9008 High Similarity NPC225051
0.9 High Similarity NPC205992
0.8992 High Similarity NPC146647
0.8992 High Similarity NPC34414
0.8992 High Similarity NPC99731
0.8971 High Similarity NPC73061
0.8971 High Similarity NPC135524
0.8955 High Similarity NPC4214
0.8947 High Similarity NPC254847
0.8939 High Similarity NPC288089
0.8939 High Similarity NPC44437
0.8923 High Similarity NPC55949
0.8906 High Similarity NPC160499
0.8898 High Similarity NPC152525
0.8898 High Similarity NPC236189
0.8898 High Similarity NPC68756
0.8898 High Similarity NPC173978
0.8889 High Similarity NPC242994
0.8889 High Similarity NPC138099
0.8889 High Similarity NPC307174
0.8881 High Similarity NPC471905
0.8872 High Similarity NPC258502
0.8872 High Similarity NPC80035
0.8864 High Similarity NPC115458
0.8864 High Similarity NPC314048
0.8849 High Similarity NPC314437
0.8849 High Similarity NPC300540
0.8841 High Similarity NPC471906
0.8841 High Similarity NPC21599
0.8841 High Similarity NPC244691
0.8841 High Similarity NPC193703
0.8824 High Similarity NPC169452
0.8824 High Similarity NPC183345
0.8824 High Similarity NPC181560
0.8806 High Similarity NPC155211
0.8806 High Similarity NPC315275
0.8797 High Similarity NPC50924
0.8788 High Similarity NPC58685
0.8779 High Similarity NPC31539
0.8777 High Similarity NPC478019
0.8768 High Similarity NPC66593
0.876 High Similarity NPC3224
0.875 High Similarity NPC26924
0.875 High Similarity NPC143438
0.875 High Similarity NPC234890
0.875 High Similarity NPC74507
0.8741 High Similarity NPC305060
0.874 High Similarity NPC91478
0.8731 High Similarity NPC283088
0.8731 High Similarity NPC161632
0.8722 High Similarity NPC294226
0.8722 High Similarity NPC267205
0.8722 High Similarity NPC53896
0.8712 High Similarity NPC244699
0.8705 High Similarity NPC79627
0.8705 High Similarity NPC48762
0.8696 High Similarity NPC193555
0.8696 High Similarity NPC474961
0.8696 High Similarity NPC257644
0.8686 High Similarity NPC315578
0.8676 High Similarity NPC61398
0.8676 High Similarity NPC416
0.8676 High Similarity NPC13715
0.8667 High Similarity NPC272268
0.8667 High Similarity NPC474813
0.8661 High Similarity NPC120545
0.8651 High Similarity NPC285829
0.8651 High Similarity NPC216297
0.8651 High Similarity NPC473662
0.8651 High Similarity NPC7151
0.8651 High Similarity NPC206778
0.8643 High Similarity NPC34482
0.8636 High Similarity NPC198305
0.8633 High Similarity NPC471682
0.8623 High Similarity NPC246638
0.8623 High Similarity NPC290550
0.8615 High Similarity NPC231774
0.8615 High Similarity NPC472047
0.8613 High Similarity NPC1268
0.8605 High Similarity NPC310540
0.8603 High Similarity NPC245923
0.8601 High Similarity NPC290954
0.8601 High Similarity NPC255641
0.8582 High Similarity NPC470570
0.8582 High Similarity NPC114183
0.8561 High Similarity NPC469520
0.8561 High Similarity NPC69755
0.8551 High Similarity NPC96421
0.8551 High Similarity NPC203063
0.854 High Similarity NPC173980
0.8537 High Similarity NPC196673
0.8529 High Similarity NPC141934
0.8529 High Similarity NPC191976
0.8519 High Similarity NPC12070
0.8519 High Similarity NPC166480
0.8519 High Similarity NPC202225
0.8519 High Similarity NPC282780
0.8519 High Similarity NPC270899
0.8511 High Similarity NPC471683
0.8507 High Similarity NPC246693
0.8507 High Similarity NPC110609
0.8507 High Similarity NPC242358
0.8507 High Similarity NPC309430
0.8492 Intermediate Similarity NPC41567
0.8489 Intermediate Similarity NPC106519
0.8489 Intermediate Similarity NPC124365
0.8489 Intermediate Similarity NPC187843
0.8489 Intermediate Similarity NPC91019
0.8485 Intermediate Similarity NPC237225
0.8485 Intermediate Similarity NPC95537
0.848 Intermediate Similarity NPC108288
0.8473 Intermediate Similarity NPC306765
0.8472 Intermediate Similarity NPC147735
0.8467 Intermediate Similarity NPC62272
0.8456 Intermediate Similarity NPC249272
0.8451 Intermediate Similarity NPC143685
0.8451 Intermediate Similarity NPC285122
0.8451 Intermediate Similarity NPC147250
0.845 Intermediate Similarity NPC283514
0.8444 Intermediate Similarity NPC254603
0.844 Intermediate Similarity NPC300684
0.844 Intermediate Similarity NPC218866
0.844 Intermediate Similarity NPC84568
0.844 Intermediate Similarity NPC48130
0.8438 Intermediate Similarity NPC472046
0.8433 Intermediate Similarity NPC471851
0.8433 Intermediate Similarity NPC17083
0.8433 Intermediate Similarity NPC85342
0.8433 Intermediate Similarity NPC72669
0.8433 Intermediate Similarity NPC474517
0.8429 Intermediate Similarity NPC85310
0.8429 Intermediate Similarity NPC239136
0.8429 Intermediate Similarity NPC19631
0.8429 Intermediate Similarity NPC137649
0.8425 Intermediate Similarity NPC218870
0.8425 Intermediate Similarity NPC470408
0.8425 Intermediate Similarity NPC474824
0.8425 Intermediate Similarity NPC182921
0.8421 Intermediate Similarity NPC57552
0.8421 Intermediate Similarity NPC278928
0.8414 Intermediate Similarity NPC470569
0.8414 Intermediate Similarity NPC118427
0.84 Intermediate Similarity NPC161304
0.8394 Intermediate Similarity NPC193358
0.8392 Intermediate Similarity NPC119767
0.8392 Intermediate Similarity NPC126767
0.8392 Intermediate Similarity NPC190648
0.8392 Intermediate Similarity NPC312929
0.8392 Intermediate Similarity NPC245584
0.8392 Intermediate Similarity NPC289042
0.8392 Intermediate Similarity NPC56433
0.8392 Intermediate Similarity NPC118027
0.8382 Intermediate Similarity NPC287604
0.8382 Intermediate Similarity NPC161964
0.8382 Intermediate Similarity NPC472262
0.838 Intermediate Similarity NPC170055
0.8372 Intermediate Similarity NPC198336
0.8369 Intermediate Similarity NPC238629
0.8358 Intermediate Similarity NPC27659
0.8358 Intermediate Similarity NPC147757
0.8358 Intermediate Similarity NPC475741
0.8356 Intermediate Similarity NPC164912
0.8346 Intermediate Similarity NPC767
0.8346 Intermediate Similarity NPC234175
0.8346 Intermediate Similarity NPC96024
0.8346 Intermediate Similarity NPC247250
0.8345 Intermediate Similarity NPC205766
0.8345 Intermediate Similarity NPC470568
0.8333 Intermediate Similarity NPC475957
0.8333 Intermediate Similarity NPC227741
0.8333 Intermediate Similarity NPC295202
0.8333 Intermediate Similarity NPC51037
0.8333 Intermediate Similarity NPC136342
0.8333 Intermediate Similarity NPC8745
0.8333 Intermediate Similarity NPC49647
0.8333 Intermediate Similarity NPC147418
0.8333 Intermediate Similarity NPC53001
0.8322 Intermediate Similarity NPC136878
0.8311 Intermediate Similarity NPC474861
0.831 Intermediate Similarity NPC29932
0.831 Intermediate Similarity NPC19896
0.8309 Intermediate Similarity NPC171968
0.8309 Intermediate Similarity NPC78307

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC31799 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
0.9127 High Similarity NPD1470 Approved
0.8947 High Similarity NPD1509 Clinical (unspecified phase)
0.881 High Similarity NPD1201 Approved
0.848 Intermediate Similarity NPD405 Clinical (unspecified phase)
0.8467 Intermediate Similarity NPD5406 Approved
0.8467 Intermediate Similarity NPD5404 Approved
0.8467 Intermediate Similarity NPD5405 Approved
0.8467 Intermediate Similarity NPD5408 Approved
0.8056 Intermediate Similarity NPD7390 Discontinued
0.8014 Intermediate Similarity NPD2346 Discontinued
0.7985 Intermediate Similarity NPD1164 Approved
0.7971 Intermediate Similarity NPD943 Approved
0.7905 Intermediate Similarity NPD3226 Approved
0.7877 Intermediate Similarity NPD7422 Clinical (unspecified phase)
0.7746 Intermediate Similarity NPD1510 Phase 2
0.7692 Intermediate Similarity NPD2935 Discontinued
0.7667 Intermediate Similarity NPD5808 Clinical (unspecified phase)
0.7622 Intermediate Similarity NPD651 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD2342 Discontinued
0.7606 Intermediate Similarity NPD1607 Approved
0.758 Intermediate Similarity NPD6232 Discontinued
0.7571 Intermediate Similarity NPD2313 Discontinued
0.7559 Intermediate Similarity NPD74 Approved
0.7559 Intermediate Similarity NPD9266 Approved
0.7547 Intermediate Similarity NPD7473 Discontinued
0.75 Intermediate Similarity NPD3300 Phase 2
0.75 Intermediate Similarity NPD9493 Approved
0.75 Intermediate Similarity NPD3299 Clinical (unspecified phase)
0.7481 Intermediate Similarity NPD5951 Approved
0.748 Intermediate Similarity NPD9263 Approved
0.748 Intermediate Similarity NPD9267 Approved
0.748 Intermediate Similarity NPD9264 Approved
0.7468 Intermediate Similarity NPD7819 Suspended
0.7466 Intermediate Similarity NPD1549 Phase 2
0.7465 Intermediate Similarity NPD1240 Approved
0.7407 Intermediate Similarity NPD3019 Approved
0.7405 Intermediate Similarity NPD6959 Discontinued
0.74 Intermediate Similarity NPD2532 Approved
0.74 Intermediate Similarity NPD2534 Approved
0.74 Intermediate Similarity NPD2533 Approved
0.7397 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7397 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7386 Intermediate Similarity NPD4380 Phase 2
0.7381 Intermediate Similarity NPD1237 Approved
0.7338 Intermediate Similarity NPD1203 Approved
0.7333 Intermediate Similarity NPD4196 Clinical (unspecified phase)
0.7329 Intermediate Similarity NPD1551 Phase 2
0.7324 Intermediate Similarity NPD3764 Approved
0.7305 Intermediate Similarity NPD8150 Discontinued
0.7299 Intermediate Similarity NPD1547 Clinical (unspecified phase)
0.7286 Intermediate Similarity NPD2798 Approved
0.7285 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.7285 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7279 Intermediate Similarity NPD2344 Approved
0.7279 Intermediate Similarity NPD2932 Approved
0.726 Intermediate Similarity NPD2799 Discontinued
0.7248 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7248 Intermediate Similarity NPD7003 Approved
0.7244 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.7235 Intermediate Similarity NPD7879 Clinical (unspecified phase)
0.723 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.7229 Intermediate Similarity NPD8312 Approved
0.7229 Intermediate Similarity NPD8313 Approved
0.7218 Intermediate Similarity NPD9281 Approved
0.7197 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.7197 Intermediate Similarity NPD7635 Approved
0.7193 Intermediate Similarity NPD6213 Phase 3
0.7193 Intermediate Similarity NPD6212 Phase 3
0.7193 Intermediate Similarity NPD6214 Clinical (unspecified phase)
0.7165 Intermediate Similarity NPD9261 Approved
0.7162 Intermediate Similarity NPD1471 Phase 3
0.7153 Intermediate Similarity NPD7163 Clinical (unspecified phase)
0.7151 Intermediate Similarity NPD6535 Approved
0.7151 Intermediate Similarity NPD6534 Approved
0.7143 Intermediate Similarity NPD1283 Approved
0.7133 Intermediate Similarity NPD5952 Clinical (unspecified phase)
0.7133 Intermediate Similarity NPD3750 Approved
0.7122 Intermediate Similarity NPD4878 Approved
0.7115 Intermediate Similarity NPD7411 Suspended
0.7107 Intermediate Similarity NPD3749 Approved
0.7105 Intermediate Similarity NPD1511 Approved
0.7097 Intermediate Similarity NPD7458 Discontinued
0.7086 Intermediate Similarity NPD2309 Approved
0.7083 Intermediate Similarity NPD411 Approved
0.708 Intermediate Similarity NPD1651 Approved
0.707 Intermediate Similarity NPD1934 Approved
0.7067 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7047 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7045 Intermediate Similarity NPD4141 Clinical (unspecified phase)
0.7044 Intermediate Similarity NPD7768 Phase 2
0.7034 Intermediate Similarity NPD520 Approved
0.703 Intermediate Similarity NPD5844 Phase 1
0.7029 Intermediate Similarity NPD7700 Phase 2
0.7029 Intermediate Similarity NPD3412 Clinical (unspecified phase)
0.7029 Intermediate Similarity NPD7699 Phase 2
0.7027 Intermediate Similarity NPD4308 Phase 3
0.7014 Intermediate Similarity NPD7008 Discontinued
0.7013 Intermediate Similarity NPD1512 Approved
0.7 Intermediate Similarity NPD9717 Approved
0.7 Intermediate Similarity NPD7075 Discontinued
0.698 Remote Similarity NPD2796 Approved
0.6978 Remote Similarity NPD3026 Approved
0.6978 Remote Similarity NPD3023 Approved
0.6957 Remote Similarity NPD3025 Approved
0.6957 Remote Similarity NPD3024 Approved
0.6953 Remote Similarity NPD1932 Approved
0.6951 Remote Similarity NPD7852 Clinical (unspecified phase)
0.6949 Remote Similarity NPD6782 Approved
0.6949 Remote Similarity NPD6778 Approved
0.6949 Remote Similarity NPD6780 Approved
0.6949 Remote Similarity NPD6776 Approved
0.6949 Remote Similarity NPD6777 Approved
0.6949 Remote Similarity NPD6779 Approved
0.6949 Remote Similarity NPD6781 Approved
0.6948 Remote Similarity NPD7004 Clinical (unspecified phase)
0.6944 Remote Similarity NPD6832 Phase 2
0.6939 Remote Similarity NPD1899 Clinical (unspecified phase)
0.6939 Remote Similarity NPD447 Suspended
0.6937 Remote Similarity NPD3882 Suspended
0.6929 Remote Similarity NPD1281 Approved
0.6919 Remote Similarity NPD8397 Clinical (unspecified phase)
0.6918 Remote Similarity NPD2801 Approved
0.6918 Remote Similarity NPD7096 Clinical (unspecified phase)
0.6918 Remote Similarity NPD6663 Approved
0.6908 Remote Similarity NPD8166 Discontinued
0.6905 Remote Similarity NPD6559 Discontinued
0.6905 Remote Similarity NPD288 Approved
0.6903 Remote Similarity NPD6273 Approved
0.6901 Remote Similarity NPD1876 Approved
0.6899 Remote Similarity NPD1930 Approved
0.6899 Remote Similarity NPD1929 Approved
0.6899 Remote Similarity NPD1931 Clinical (unspecified phase)
0.6894 Remote Similarity NPD4381 Clinical (unspecified phase)
0.6884 Remote Similarity NPD3091 Approved
0.6879 Remote Similarity NPD3972 Approved
0.6875 Remote Similarity NPD5736 Approved
0.6875 Remote Similarity NPD5402 Approved
0.6875 Remote Similarity NPD8438 Clinical (unspecified phase)
0.6867 Remote Similarity NPD3818 Discontinued
0.6866 Remote Similarity NPD1609 Clinical (unspecified phase)
0.6864 Remote Similarity NPD5026 Approved
0.6864 Remote Similarity NPD4955 Approved
0.6864 Remote Similarity NPD5028 Approved
0.6864 Remote Similarity NPD5034 Approved
0.6864 Remote Similarity NPD4954 Approved
0.6864 Remote Similarity NPD36 Approved
0.6855 Remote Similarity NPD6801 Discontinued
0.6849 Remote Similarity NPD3268 Approved
0.6848 Remote Similarity NPD6168 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6167 Clinical (unspecified phase)
0.6848 Remote Similarity NPD6166 Phase 2
0.6842 Remote Similarity NPD2800 Approved
0.6835 Remote Similarity NPD6599 Discontinued
0.6833 Remote Similarity NPD7696 Phase 3
0.6833 Remote Similarity NPD7435 Discontinued
0.6833 Remote Similarity NPD7697 Approved
0.6833 Remote Similarity NPD7698 Approved
0.6829 Remote Similarity NPD5711 Approved
0.6829 Remote Similarity NPD5710 Approved
0.6825 Remote Similarity NPD844 Approved
0.6818 Remote Similarity NPD9265 Clinical (unspecified phase)
0.681 Remote Similarity NPD5494 Approved
0.6805 Remote Similarity NPD5030 Phase 2
0.68 Remote Similarity NPD3748 Approved
0.6797 Remote Similarity NPD4628 Phase 3
0.6796 Remote Similarity NPD7870 Phase 2
0.6796 Remote Similarity NPD7871 Phase 2
0.6796 Remote Similarity NPD8320 Phase 1
0.6796 Remote Similarity NPD8319 Approved
0.6786 Remote Similarity NPD2286 Discontinued
0.6786 Remote Similarity NPD4626 Approved
0.6767 Remote Similarity NPD6831 Clinical (unspecified phase)
0.6766 Remote Similarity NPD3751 Discontinued
0.6766 Remote Similarity NPD7177 Discontinued
0.6765 Remote Similarity NPD4869 Clinical (unspecified phase)
0.6763 Remote Similarity NPD9545 Approved
0.6761 Remote Similarity NPD9269 Phase 2
0.6757 Remote Similarity NPD4307 Phase 2
0.6755 Remote Similarity NPD6099 Approved
0.6755 Remote Similarity NPD6100 Approved
0.6752 Remote Similarity NPD5403 Approved
0.675 Remote Similarity NPD6844 Discontinued
0.6738 Remote Similarity NPD4879 Approved
0.6736 Remote Similarity NPD3094 Phase 2
0.6736 Remote Similarity NPD2797 Approved
0.6731 Remote Similarity NPD5401 Approved
0.6728 Remote Similarity NPD4868 Clinical (unspecified phase)
0.6726 Remote Similarity NPD6020 Phase 2
0.6716 Remote Similarity NPD4750 Phase 3
0.6715 Remote Similarity NPD497 Approved
0.6714 Remote Similarity NPD9268 Approved
0.6711 Remote Similarity NPD230 Phase 1
0.6705 Remote Similarity NPD5037 Approved
0.6705 Remote Similarity NPD5038 Approved
0.669 Remote Similarity NPD6007 Clinical (unspecified phase)
0.669 Remote Similarity NPD3092 Approved
0.6688 Remote Similarity NPD3400 Discontinued
0.6688 Remote Similarity NPD6398 Clinical (unspecified phase)
0.6685 Remote Similarity NPD6823 Phase 2
0.6685 Remote Similarity NPD7701 Phase 2

Structure

External Identifiers

PubChem CID   32209
ChEMBL   CHEMBL495276
ZINC  

Physicochemical Properties

Molecular Weight:  254.06
ALogP:  -1.4366
MLogP:  2.67
XLogP:  2.098
# Rotatable Bonds:  3
Polar Surface Area:  74.6
# H-Bond Aceptor:  3
# H-Bond Donor:  2
# Rings:  3
# Heavy Atoms:  19

Download Data

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