Drug Information

Drug ID:  NPD3618
Drug Name:  HF-0299
Molecular Formula:  C19H26O3
Canonical SMILES:  O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CCC2=O)C)C
Standard InCHI:  InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15-,17+,18-,19-/m0/s1
Standard InCHIKey:  WSCUHXPGYUMQEX-KCZNZURUSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3618

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
Tanimoto coefficient is calculated based on PubChem 881-bit substructure fingerprints.


  Similar Natural Products

High Similarity Level: Tc>=0.85; Intermediate Similarity Level: 0.7 <= Tc < 0.85; Remote Similarity Level: 0.65 <= Tc < 0.7

Similarity Level Similarity Score Natural Product ID
High Similarity 0.963 NPC470574
High Similarity 0.9518 NPC328539
High Similarity 0.9405 NPC119416
High Similarity 0.9398 NPC475740
High Similarity 0.9286 NPC471722
High Similarity 0.9277 NPC474778
High Similarity 0.9277 NPC31564
High Similarity 0.9277 NPC72133
High Similarity 0.9277 NPC145879
High Similarity 0.9277 NPC474733
High Similarity 0.9277 NPC474732
High Similarity 0.9268 NPC214043
High Similarity 0.9268 NPC227064
High Similarity 0.9268 NPC329043
High Similarity 0.9268 NPC161423
High Similarity 0.9268 NPC85774
High Similarity 0.9268 NPC58841
High Similarity 0.9268 NPC321187
High Similarity 0.9259 NPC151519
High Similarity 0.9186 NPC185936
High Similarity 0.9186 NPC272746
High Similarity 0.9186 NPC168027
High Similarity 0.9176 NPC31985
High Similarity 0.9176 NPC1015
High Similarity 0.9176 NPC86319
High Similarity 0.9176 NPC473999
High Similarity 0.9176 NPC275740
High Similarity 0.9176 NPC309603
High Similarity 0.9167 NPC58063
High Similarity 0.9167 NPC141292
High Similarity 0.9091 NPC271195
High Similarity 0.908 NPC475255
High Similarity 0.907 NPC48010
High Similarity 0.907 NPC85173
High Similarity 0.907 NPC126993
High Similarity 0.907 NPC191684
High Similarity 0.9059 NPC474677
High Similarity 0.9059 NPC292491
High Similarity 0.9059 NPC472802
High Similarity 0.9059 NPC310752
High Similarity 0.9059 NPC143767
High Similarity 0.9059 NPC131470
High Similarity 0.9048 NPC327115
High Similarity 0.9036 NPC221758
High Similarity 0.9036 NPC59453
High Similarity 0.9036 NPC473246
High Similarity 0.9036 NPC237712
High Similarity 0.8989 NPC192428
High Similarity 0.8977 NPC111015
High Similarity 0.8977 NPC196485
High Similarity 0.8977 NPC245972
High Similarity 0.8966 NPC475806
High Similarity 0.8966 NPC473998
High Similarity 0.8953 NPC268406
High Similarity 0.8953 NPC26959
High Similarity 0.8953 NPC186688
High Similarity 0.8953 NPC477943
High Similarity 0.8941 NPC136548
High Similarity 0.8941 NPC474684
High Similarity 0.8941 NPC142361
High Similarity 0.8929 NPC469948
High Similarity 0.8929 NPC197823
High Similarity 0.8929 NPC474218
High Similarity 0.8875 NPC197659
High Similarity 0.8864 NPC109305
High Similarity 0.8864 NPC69454
High Similarity 0.8864 NPC12722
High Similarity 0.8864 NPC134826
High Similarity 0.8851 NPC183283
High Similarity 0.8837 NPC193360
High Similarity 0.8837 NPC471724
High Similarity 0.8824 NPC94666
High Similarity 0.8824 NPC118648
High Similarity 0.8824 NPC94755
High Similarity 0.8824 NPC74363
High Similarity 0.8824 NPC472985
High Similarity 0.8824 NPC158393
High Similarity 0.8824 NPC475022
High Similarity 0.8824 NPC51014
High Similarity 0.8824 NPC222613
High Similarity 0.8824 NPC20688
High Similarity 0.8824 NPC472986
High Similarity 0.8824 NPC475862
High Similarity 0.881 NPC472265
High Similarity 0.881 NPC82902
High Similarity 0.8795 NPC48362
High Similarity 0.8791 NPC103051
High Similarity 0.878 NPC472478
High Similarity 0.878 NPC2482
High Similarity 0.878 NPC172013
High Similarity 0.8764 NPC8993
High Similarity 0.875 NPC212301
High Similarity 0.875 NPC63748
High Similarity 0.875 NPC86266
High Similarity 0.875 NPC131872
High Similarity 0.875 NPC155304
High Similarity 0.875 NPC233116
High Similarity 0.875 NPC110657
High Similarity 0.8736 NPC32830
High Similarity 0.8736 NPC474245
High Similarity 0.8736 NPC475921
High Similarity 0.8736 NPC474704
High Similarity 0.8721 NPC159046
High Similarity 0.8721 NPC93778
High Similarity 0.8721 NPC233836
High Similarity 0.8721 NPC187376
High Similarity 0.8721 NPC73064
High Similarity 0.8706 NPC471224
High Similarity 0.8706 NPC133954
High Similarity 0.8696 NPC154072
High Similarity 0.869 NPC64600
High Similarity 0.8681 NPC108078
High Similarity 0.8681 NPC18509
High Similarity 0.8675 NPC121984
High Similarity 0.8675 NPC136150
High Similarity 0.8667 NPC280725
High Similarity 0.8667 NPC473170
High Similarity 0.8667 NPC259286
High Similarity 0.8659 NPC229204
High Similarity 0.8652 NPC470224
High Similarity 0.8652 NPC470376
High Similarity 0.8652 NPC170220
High Similarity 0.8652 NPC141497
High Similarity 0.8652 NPC470375
High Similarity 0.8652 NPC107674
High Similarity 0.8621 NPC53911
High Similarity 0.8621 NPC328313
High Similarity 0.8621 NPC206060
High Similarity 0.8621 NPC158778
High Similarity 0.8605 NPC471737
High Similarity 0.8605 NPC28252
High Similarity 0.8605 NPC55309
High Similarity 0.8605 NPC155011
High Similarity 0.8605 NPC469994
High Similarity 0.8605 NPC213412
High Similarity 0.8588 NPC146683
High Similarity 0.8588 NPC474482
High Similarity 0.8588 NPC33913
High Similarity 0.8588 NPC475745
High Similarity 0.8587 NPC114274
High Similarity 0.8571 NPC117133
High Similarity 0.8571 NPC249954
High Similarity 0.8571 NPC193347
High Similarity 0.8556 NPC209662
High Similarity 0.8556 NPC166906
High Similarity 0.8556 NPC49670
High Similarity 0.8556 NPC474690
High Similarity 0.8556 NPC299100
High Similarity 0.8556 NPC471207
High Similarity 0.8554 NPC476809
High Similarity 0.8554 NPC469637
High Similarity 0.8539 NPC145067
High Similarity 0.8539 NPC19114
High Similarity 0.8539 NPC4036
High Similarity 0.8539 NPC233455
High Similarity 0.8539 NPC189520
High Similarity 0.8539 NPC158030
High Similarity 0.8539 NPC65120
High Similarity 0.8539 NPC297265
High Similarity 0.8523 NPC250592
High Similarity 0.8523 NPC472973
High Similarity 0.8523 NPC84271
High Similarity 0.8523 NPC77263
High Similarity 0.8523 NPC77168
High Similarity 0.8523 NPC102414
High Similarity 0.8523 NPC310010
High Similarity 0.8523 NPC76879
High Similarity 0.8523 NPC326627
High Similarity 0.8511 NPC477915
High Similarity 0.8506 NPC90652
High Similarity 0.8506 NPC317590
High Similarity 0.8506 NPC472482
High Similarity 0.8506 NPC472484
High Similarity 0.8506 NPC472481
Intermediate Similarity 0.8495 NPC144956
Intermediate Similarity 0.8488 NPC76518
Intermediate Similarity 0.8488 NPC474083
Intermediate Similarity 0.8478 NPC253826
Intermediate Similarity 0.8471 NPC475726
Intermediate Similarity 0.8471 NPC118800
Intermediate Similarity 0.8471 NPC471036
Intermediate Similarity 0.8471 NPC476082
Intermediate Similarity 0.8471 NPC291320
Intermediate Similarity 0.8471 NPC278648
Intermediate Similarity 0.8471 NPC472743
Intermediate Similarity 0.8462 NPC88310
Intermediate Similarity 0.8462 NPC470016
Intermediate Similarity 0.8462 NPC472485
Intermediate Similarity 0.8462 NPC317586
Intermediate Similarity 0.8462 NPC180950
Intermediate Similarity 0.8452 NPC14151
Intermediate Similarity 0.8452 NPC6434
Intermediate Similarity 0.8452 NPC473420
Intermediate Similarity 0.8452 NPC473217
Intermediate Similarity 0.8444 NPC214756
Intermediate Similarity 0.8444 NPC472930
Intermediate Similarity 0.8444 NPC474807
Intermediate Similarity 0.8444 NPC474736
Intermediate Similarity 0.8444 NPC295643
Intermediate Similarity 0.8444 NPC272075

Drug Structure

External Identifiers

TTD   DIB011099
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  302.19
ALogP  0.0649
MLogP  3.22
XLogP  1.154
HDA  3
HBD  1
Rotatable Bonds  3
TPSA  54.37
RO5 Violation  0