Natural Product: NPC246177

Natural Product ID:  NPC246177
Common Name:   (2R,3S)-2-[(3E)-4,8-Dimethyl-6-Oxonona-3,7-Dienyl]-7-Hydroxy-2,3-Dimethyl-3H-Furo[3,2-C]Chromen-4-One
IUPAC Name:   (2R,3S)-2-[(3E)-4,8-dimethyl-6-oxonona-3,7-dienyl]-7-hydroxy-2,3-dimethyl-3H-furo[3,2-c]chromen-4-one
Synonyms:  
Molecular Formula:   C24H28O5
Standard InCHIKey:  VFFCJVAKVAWFMA-TVBPSSQPSA-N
Standard InCHI:  InChI=1S/C24H28O5/c1-14(2)11-18(26)12-15(3)7-6-10-24(5)16(4)21-22(29-24)19-9-8-17(25)13-20(19)28-23(21)27/h7-9,11,13,16,25H,6,10,12H2,1-5H3/b15-7+/t16-,24+/m0/s1
Canonical SMILES:  C/C(=CCC[C@@]1(C)Oc2c([C@@H]1C)c(=O)oc1c2ccc(c1)O)/CC(=O)C=C(C)C
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
NPO3780 Ferula fukanensis Species Apiaceae Eukaryota PMID[15043424]
NPO30333 Ferula ferulioides Species Apiaceae Eukaryota Root PMID[11558588]
NPO3780 Ferula fukanensis Species Apiaceae Eukaryota Root PMID[15043424]

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT113 Cell Line RAW264.7 Mus musculus IC50 = 24600 nM 15043424

  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 NPC246177 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
1.0 High Similarity NPC317045
0.9847 High Similarity NPC327612
0.9847 High Similarity NPC319870
0.9847 High Similarity NPC148738
0.9847 High Similarity NPC73078
0.9308 High Similarity NPC474289
0.8971 High Similarity NPC223616
0.8955 High Similarity NPC307289
0.8849 High Similarity NPC310370
0.8849 High Similarity NPC183642
0.8841 High Similarity NPC221046
0.8732 High Similarity NPC71739
0.8732 High Similarity NPC295696
0.8714 High Similarity NPC170812
0.8692 High Similarity NPC187868
0.8692 High Similarity NPC52247
0.8643 High Similarity NPC71903
0.8633 High Similarity NPC471069
0.8633 High Similarity NPC471068
0.8615 High Similarity NPC302107
0.8613 High Similarity NPC55147
0.8613 High Similarity NPC54503
0.8592 High Similarity NPC229916
0.8582 High Similarity NPC258567
0.8582 High Similarity NPC243688
0.8582 High Similarity NPC155552
0.8582 High Similarity NPC121740
0.8582 High Similarity NPC224774
0.8571 High Similarity NPC471072
0.8571 High Similarity NPC471070
0.8571 High Similarity NPC471071
0.8571 High Similarity NPC332594
0.8538 High Similarity NPC474874
0.8538 High Similarity NPC247553
0.8529 High Similarity NPC32463
0.8519 High Similarity NPC469453
0.8511 High Similarity NPC470668
0.8511 High Similarity NPC470669
0.8489 Intermediate Similarity NPC61499
0.8483 Intermediate Similarity NPC153758
0.8483 Intermediate Similarity NPC154217
0.8478 Intermediate Similarity NPC10971
0.8472 Intermediate Similarity NPC196459
0.8472 Intermediate Similarity NPC470296
0.8472 Intermediate Similarity NPC94794
0.8472 Intermediate Similarity NPC313039
0.8472 Intermediate Similarity NPC188632
0.8472 Intermediate Similarity NPC112791
0.8472 Intermediate Similarity NPC198459
0.8472 Intermediate Similarity NPC109812
0.8472 Intermediate Similarity NPC87609
0.8472 Intermediate Similarity NPC131043
0.8472 Intermediate Similarity NPC473976
0.8462 Intermediate Similarity NPC470555
0.8456 Intermediate Similarity NPC187907
0.844 Intermediate Similarity NPC138047
0.844 Intermediate Similarity NPC474624
0.844 Intermediate Similarity NPC131782
0.8435 Intermediate Similarity NPC103116
0.8433 Intermediate Similarity NPC168259
0.8433 Intermediate Similarity NPC244495
0.8433 Intermediate Similarity NPC93219
0.8429 Intermediate Similarity NPC266245
0.8425 Intermediate Similarity NPC297886
0.8425 Intermediate Similarity NPC142863
0.8425 Intermediate Similarity NPC249942
0.8417 Intermediate Similarity NPC131950
0.8414 Intermediate Similarity NPC1886
0.8414 Intermediate Similarity NPC469935
0.8414 Intermediate Similarity NPC196137
0.8414 Intermediate Similarity NPC178627
0.8414 Intermediate Similarity NPC212697
0.8403 Intermediate Similarity NPC36181
0.84 Intermediate Similarity NPC469934
0.8394 Intermediate Similarity NPC2989
0.8394 Intermediate Similarity NPC113098
0.8392 Intermediate Similarity NPC221173
0.8385 Intermediate Similarity NPC152306
0.8382 Intermediate Similarity NPC219923
0.8382 Intermediate Similarity NPC185066
0.838 Intermediate Similarity NPC219584
0.838 Intermediate Similarity NPC199458
0.838 Intermediate Similarity NPC470083
0.838 Intermediate Similarity NPC183639
0.8378 Intermediate Similarity NPC158866
0.8372 Intermediate Similarity NPC33717
0.8369 Intermediate Similarity NPC187826
0.8369 Intermediate Similarity NPC309452
0.8369 Intermediate Similarity NPC13408
0.8367 Intermediate Similarity NPC161864
0.8367 Intermediate Similarity NPC146388
0.8367 Intermediate Similarity NPC469933
0.8367 Intermediate Similarity NPC208303
0.8358 Intermediate Similarity NPC27671
0.8356 Intermediate Similarity NPC57470
0.8356 Intermediate Similarity NPC181388
0.8356 Intermediate Similarity NPC470322
0.8345 Intermediate Similarity NPC25937
0.8345 Intermediate Similarity NPC31849
0.8345 Intermediate Similarity NPC83535
0.8345 Intermediate Similarity NPC163557
0.8345 Intermediate Similarity NPC470216
0.8333 Intermediate Similarity NPC235190
0.8333 Intermediate Similarity NPC267336
0.8333 Intermediate Similarity NPC29734
0.8333 Intermediate Similarity NPC270369
0.8333 Intermediate Similarity NPC272650
0.8333 Intermediate Similarity NPC163200
0.8333 Intermediate Similarity NPC5515
0.8333 Intermediate Similarity NPC180006
0.8322 Intermediate Similarity NPC241975
0.8322 Intermediate Similarity NPC23257
0.8322 Intermediate Similarity NPC230902
0.8322 Intermediate Similarity NPC472343
0.8322 Intermediate Similarity NPC19476
0.8322 Intermediate Similarity NPC290671
0.8321 Intermediate Similarity NPC298796
0.8311 Intermediate Similarity NPC469932
0.8311 Intermediate Similarity NPC146014
0.831 Intermediate Similarity NPC307883
0.831 Intermediate Similarity NPC151946
0.8299 Intermediate Similarity NPC180477
0.8299 Intermediate Similarity NPC140120
0.8298 Intermediate Similarity NPC104796
0.8288 Intermediate Similarity NPC469953
0.8288 Intermediate Similarity NPC312789
0.8288 Intermediate Similarity NPC311144
0.8288 Intermediate Similarity NPC287275
0.8284 Intermediate Similarity NPC109675
0.8284 Intermediate Similarity NPC273772
0.8276 Intermediate Similarity NPC470556
0.8273 Intermediate Similarity NPC175159
0.8273 Intermediate Similarity NPC194277
0.8273 Intermediate Similarity NPC31872
0.8273 Intermediate Similarity NPC113006
0.8273 Intermediate Similarity NPC473584
0.8273 Intermediate Similarity NPC475589
0.8264 Intermediate Similarity NPC477272
0.8264 Intermediate Similarity NPC471587
0.8261 Intermediate Similarity NPC146615
0.8261 Intermediate Similarity NPC469929
0.8258 Intermediate Similarity NPC31314
0.8258 Intermediate Similarity NPC193193
0.8255 Intermediate Similarity NPC471115
0.8255 Intermediate Similarity NPC295036
0.8255 Intermediate Similarity NPC474735
0.8255 Intermediate Similarity NPC29777
0.8252 Intermediate Similarity NPC474504
0.8252 Intermediate Similarity NPC470672
0.8252 Intermediate Similarity NPC475012
0.8252 Intermediate Similarity NPC474487
0.8252 Intermediate Similarity NPC131130
0.8252 Intermediate Similarity NPC470671
0.8248 Intermediate Similarity NPC157212
0.8244 Intermediate Similarity NPC96705
0.8244 Intermediate Similarity NPC265547
0.8243 Intermediate Similarity NPC37139
0.8239 Intermediate Similarity NPC234133
0.8239 Intermediate Similarity NPC174999
0.8239 Intermediate Similarity NPC231772
0.8239 Intermediate Similarity NPC472516
0.8239 Intermediate Similarity NPC127447
0.8239 Intermediate Similarity NPC473887
0.8239 Intermediate Similarity NPC29353
0.8239 Intermediate Similarity NPC124784
0.8239 Intermediate Similarity NPC47815
0.8239 Intermediate Similarity NPC194281
0.8239 Intermediate Similarity NPC155963
0.8231 Intermediate Similarity NPC299011
0.8227 Intermediate Similarity NPC248872
0.8227 Intermediate Similarity NPC66705
0.8227 Intermediate Similarity NPC144027
0.8227 Intermediate Similarity NPC236974
0.8224 Intermediate Similarity NPC474738
0.8224 Intermediate Similarity NPC129053
0.8224 Intermediate Similarity NPC78554
0.8224 Intermediate Similarity NPC469936
0.8224 Intermediate Similarity NPC109967
0.8224 Intermediate Similarity NPC321372
0.8224 Intermediate Similarity NPC474609
0.8224 Intermediate Similarity NPC475797
0.8222 Intermediate Similarity NPC73413
0.8222 Intermediate Similarity NPC201667
0.8219 Intermediate Similarity NPC95123
0.8219 Intermediate Similarity NPC105381
0.8219 Intermediate Similarity NPC474939
0.8219 Intermediate Similarity NPC66404
0.8219 Intermediate Similarity NPC96216
0.8219 Intermediate Similarity NPC307895
0.8219 Intermediate Similarity NPC113770
0.8219 Intermediate Similarity NPC470909
0.8219 Intermediate Similarity NPC470553
0.8219 Intermediate Similarity NPC10302
0.8214 Intermediate Similarity NPC203817
0.8214 Intermediate Similarity NPC469449
0.8207 Intermediate Similarity NPC90582
0.8207 Intermediate Similarity NPC156590
0.8207 Intermediate Similarity NPC118840
0.8207 Intermediate Similarity NPC64908
0.8207 Intermediate Similarity NPC262094

  Similar Clinical/Approved Drugs

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

●  The left chart: Distribution of similarity level between NPC246177 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
0.8692 High Similarity NPD422 Phase 1
0.8433 Intermediate Similarity NPD2797 Approved
0.8394 Intermediate Similarity NPD6859 Clinical (unspecified phase)
0.8394 Intermediate Similarity NPD3268 Approved
0.8392 Intermediate Similarity NPD3750 Approved
0.8264 Intermediate Similarity NPD6398 Clinical (unspecified phase)
0.8129 Intermediate Similarity NPD1296 Phase 2
0.8125 Intermediate Similarity NPD970 Clinical (unspecified phase)
0.8088 Intermediate Similarity NPD3225 Approved
0.8085 Intermediate Similarity NPD5124 Phase 1
0.8085 Intermediate Similarity NPD5123 Clinical (unspecified phase)
0.8042 Intermediate Similarity NPD3748 Approved
0.8041 Intermediate Similarity NPD4378 Clinical (unspecified phase)
0.8029 Intermediate Similarity NPD3266 Approved
0.8029 Intermediate Similarity NPD3267 Approved
0.7941 Intermediate Similarity NPD9717 Approved
0.7935 Intermediate Similarity NPD3749 Approved
0.7919 Intermediate Similarity NPD7410 Clinical (unspecified phase)
0.7899 Intermediate Similarity NPD1203 Approved
0.7891 Intermediate Similarity NPD1878 Clinical (unspecified phase)
0.7862 Intermediate Similarity NPD6099 Approved
0.7862 Intermediate Similarity NPD1551 Phase 2
0.7862 Intermediate Similarity NPD6100 Approved
0.7857 Intermediate Similarity NPD1008 Clinical (unspecified phase)
0.7852 Intermediate Similarity NPD6799 Approved
0.7823 Intermediate Similarity NPD2800 Approved
0.7808 Intermediate Similarity NPD1550 Clinical (unspecified phase)
0.7808 Intermediate Similarity NPD1552 Clinical (unspecified phase)
0.7793 Intermediate Similarity NPD2799 Discontinued
0.7762 Intermediate Similarity NPD1240 Approved
0.7755 Intermediate Similarity NPD1549 Phase 2
0.7742 Intermediate Similarity NPD2801 Approved
0.7733 Intermediate Similarity NPD1511 Approved
0.773 Intermediate Similarity NPD4908 Phase 1
0.7727 Intermediate Similarity NPD7411 Suspended
0.7727 Intermediate Similarity NPD7615 Clinical (unspecified phase)
0.7704 Intermediate Similarity NPD1548 Phase 1
0.7703 Intermediate Similarity NPD7421 Clinical (unspecified phase)
0.7703 Intermediate Similarity NPD1652 Phase 2
0.7703 Intermediate Similarity NPD1243 Approved
0.7697 Intermediate Similarity NPD920 Approved
0.7682 Intermediate Similarity NPD2534 Approved
0.7682 Intermediate Similarity NPD2532 Approved
0.7682 Intermediate Similarity NPD2533 Approved
0.7671 Intermediate Similarity NPD7033 Discontinued
0.7671 Intermediate Similarity NPD4308 Phase 3
0.7671 Intermediate Similarity NPD1510 Phase 2
0.7662 Intermediate Similarity NPD6599 Discontinued
0.7655 Intermediate Similarity NPD1607 Approved
0.7643 Intermediate Similarity NPD7768 Phase 2
0.7632 Intermediate Similarity NPD1512 Approved
0.7628 Intermediate Similarity NPD7819 Suspended
0.7626 Intermediate Similarity NPD4749 Approved
0.7622 Intermediate Similarity NPD4907 Clinical (unspecified phase)
0.7619 Intermediate Similarity NPD2796 Approved
0.7609 Intermediate Similarity NPD1610 Phase 2
0.7609 Intermediate Similarity NPD1535 Discovery
0.7595 Intermediate Similarity NPD7075 Discontinued
0.7586 Intermediate Similarity NPD6355 Discontinued
0.7586 Intermediate Similarity NPD447 Suspended
0.7582 Intermediate Similarity NPD5403 Approved
0.758 Intermediate Similarity NPD8443 Clinical (unspecified phase)
0.758 Intermediate Similarity NPD3817 Phase 2
0.7568 Intermediate Similarity NPD6003 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD6006 Clinical (unspecified phase)
0.7568 Intermediate Similarity NPD6002 Phase 3
0.7568 Intermediate Similarity NPD6005 Phase 3
0.7568 Intermediate Similarity NPD6004 Phase 3
0.7566 Intermediate Similarity NPD642 Clinical (unspecified phase)
0.7564 Intermediate Similarity NPD6801 Discontinued
0.7554 Intermediate Similarity NPD1481 Phase 2
0.7554 Intermediate Similarity NPD1608 Approved
0.7532 Intermediate Similarity NPD4868 Clinical (unspecified phase)
0.7532 Intermediate Similarity NPD3882 Suspended
0.7516 Intermediate Similarity NPD7096 Clinical (unspecified phase)
0.7516 Intermediate Similarity NPD2393 Clinical (unspecified phase)
0.75 Intermediate Similarity NPD3764 Approved
0.75 Intermediate Similarity NPD2313 Discontinued
0.75 Intermediate Similarity NPD2935 Discontinued
0.7484 Intermediate Similarity NPD4381 Clinical (unspecified phase)
0.7483 Intermediate Similarity NPD6832 Phase 2
0.7468 Intermediate Similarity NPD5402 Approved
0.7466 Intermediate Similarity NPD230 Phase 1
0.7452 Intermediate Similarity NPD1934 Approved
0.7451 Intermediate Similarity NPD5401 Approved
0.7445 Intermediate Similarity NPD9545 Approved
0.7436 Intermediate Similarity NPD4380 Phase 2
0.7434 Intermediate Similarity NPD643 Clinical (unspecified phase)
0.7423 Intermediate Similarity NPD7852 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD1653 Approved
0.7417 Intermediate Similarity NPD4628 Phase 3
0.7407 Intermediate Similarity NPD7229 Phase 3
0.7405 Intermediate Similarity NPD1465 Phase 2
0.7397 Intermediate Similarity NPD4307 Phase 2
0.7385 Intermediate Similarity NPD9697 Approved
0.7379 Intermediate Similarity NPD411 Approved
0.7379 Intermediate Similarity NPD6798 Discontinued
0.7378 Intermediate Similarity NPD7473 Discontinued
0.7372 Intermediate Similarity NPD3226 Approved
0.7361 Intermediate Similarity NPD2614 Approved
0.7358 Intermediate Similarity NPD4288 Approved
0.7343 Intermediate Similarity NPD5647 Approved
0.7343 Intermediate Similarity NPD1019 Discontinued
0.7342 Intermediate Similarity NPD37 Approved
0.7338 Intermediate Similarity NPD1778 Approved
0.7338 Intermediate Similarity NPD7004 Clinical (unspecified phase)
0.7338 Intermediate Similarity NPD17 Approved
0.7333 Intermediate Similarity NPD2344 Approved
0.7333 Intermediate Similarity NPD2343 Clinical (unspecified phase)
0.7333 Intermediate Similarity NPD1241 Discontinued
0.7333 Intermediate Similarity NPD3818 Discontinued
0.7329 Intermediate Similarity NPD6233 Phase 2
0.7329 Intermediate Similarity NPD6234 Discontinued
0.7319 Intermediate Similarity NPD1894 Discontinued
0.7312 Intermediate Similarity NPD4965 Approved
0.7312 Intermediate Similarity NPD4966 Approved
0.7312 Intermediate Similarity NPD4967 Phase 2
0.731 Intermediate Similarity NPD4625 Phase 3
0.7301 Intermediate Similarity NPD6232 Discontinued
0.7299 Intermediate Similarity NPD9493 Approved
0.7297 Intermediate Similarity NPD6651 Approved
0.7289 Intermediate Similarity NPD5844 Phase 1
0.7289 Intermediate Similarity NPD7286 Phase 2
0.7286 Intermediate Similarity NPD3496 Discontinued
0.7285 Intermediate Similarity NPD2424 Discontinued
0.7267 Intermediate Similarity NPD6971 Discontinued
0.726 Intermediate Similarity NPD6410 Clinical (unspecified phase)
0.7259 Intermediate Similarity NPD5535 Approved
0.7241 Intermediate Similarity NPD1529 Clinical (unspecified phase)
0.7239 Intermediate Similarity NPD7199 Phase 2
0.723 Intermediate Similarity NPD1899 Clinical (unspecified phase)
0.7222 Intermediate Similarity NPD2798 Approved
0.7219 Intermediate Similarity NPD4338 Clinical (unspecified phase)
0.7219 Intermediate Similarity NPD2346 Discontinued
0.7211 Intermediate Similarity NPD8032 Phase 2
0.7202 Intermediate Similarity NPD5953 Discontinued
0.7197 Intermediate Similarity NPD3134 Approved
0.7186 Intermediate Similarity NPD7054 Approved
0.7186 Intermediate Similarity NPD7804 Clinical (unspecified phase)
0.7178 Intermediate Similarity NPD5494 Approved
0.7172 Intermediate Similarity NPD1530 Clinical (unspecified phase)
0.7172 Intermediate Similarity NPD2861 Phase 2
0.7162 Intermediate Similarity NPD4060 Phase 1
0.7161 Intermediate Similarity NPD7837 Clinical (unspecified phase)
0.7161 Intermediate Similarity NPD6143 Clinical (unspecified phase)
0.716 Intermediate Similarity NPD6559 Discontinued
0.7153 Intermediate Similarity NPD6362 Approved
0.7152 Intermediate Similarity NPD7184 Clinical (unspecified phase)
0.7143 Intermediate Similarity NPD2309 Approved
0.7143 Intermediate Similarity NPD5585 Approved
0.7143 Intermediate Similarity NPD7472 Approved
0.7134 Intermediate Similarity NPD6959 Discontinued
0.7133 Intermediate Similarity NPD7097 Phase 1
0.7118 Intermediate Similarity NPD4419 Clinical (unspecified phase)
0.7117 Intermediate Similarity NPD919 Approved
0.7113 Intermediate Similarity NPD1091 Approved
0.7108 Intermediate Similarity NPD6167 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6168 Clinical (unspecified phase)
0.7108 Intermediate Similarity NPD6166 Phase 2
0.7101 Intermediate Similarity NPD7993 Clinical (unspecified phase)
0.7101 Intermediate Similarity NPD6671 Approved
0.7101 Intermediate Similarity NPD6797 Phase 2
0.7095 Intermediate Similarity NPD4062 Phase 3
0.7092 Intermediate Similarity NPD4626 Approved
0.7091 Intermediate Similarity NPD5711 Approved
0.7091 Intermediate Similarity NPD5710 Approved
0.7089 Intermediate Similarity NPD2370 Clinical (unspecified phase)
0.7075 Intermediate Similarity NPD7095 Approved
0.7067 Intermediate Similarity NPD6653 Approved
0.7059 Intermediate Similarity NPD7251 Discontinued
0.7047 Intermediate Similarity NPD1613 Approved
0.7047 Intermediate Similarity NPD1612 Clinical (unspecified phase)
0.7042 Intermediate Similarity NPD3847 Discontinued
0.7041 Intermediate Similarity NPD7074 Phase 3
0.7039 Intermediate Similarity NPD4477 Approved
0.7039 Intermediate Similarity NPD4476 Approved
0.7032 Intermediate Similarity NPD6190 Approved
0.7027 Intermediate Similarity NPD1699 Clinical (unspecified phase)
0.7025 Intermediate Similarity NPD6980 Clinical (unspecified phase)
0.7024 Intermediate Similarity NPD7228 Approved
0.7023 Intermediate Similarity NPD940 Approved
0.7023 Intermediate Similarity NPD846 Approved
0.7018 Intermediate Similarity NPD7808 Phase 3
0.7015 Intermediate Similarity NPD1358 Approved
0.7013 Intermediate Similarity NPD2654 Approved
0.7 Intermediate Similarity NPD4618 Approved
0.7 Intermediate Similarity NPD1933 Approved
0.7 Intermediate Similarity NPD4340 Discontinued
0.7 Intermediate Similarity NPD4622 Approved
0.6987 Remote Similarity NPD6666 Approved
0.6987 Remote Similarity NPD6667 Approved
0.6971 Remote Similarity NPD4287 Approved
0.6968 Remote Similarity NPD7003 Approved
0.6968 Remote Similarity NPD4110 Phase 3
0.6968 Remote Similarity NPD4109 Clinical (unspecified phase)
0.6966 Remote Similarity NPD1283 Approved
0.6962 Remote Similarity NPD5049 Phase 3
0.6962 Remote Similarity NPD6273 Approved
0.6959 Remote Similarity NPD3027 Phase 3
0.6944 Remote Similarity NPD9269 Phase 2

Structure

External Identifiers

PubChem CID   10992937
ChEMBL   CHEMBL459918
ZINC  

Physicochemical Properties

Molecular Weight:  396.19
ALogP:  2.0538
MLogP:  3.55
XLogP:  4.045
# Rotatable Bonds:  12
Polar Surface Area:  72.83
# H-Bond Aceptor:  3
# H-Bond Donor:  1
# Rings:  3
# Heavy Atoms:  29

Download Data

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