Drug Information

Drug ID:  NPD6027
Drug Name:  Dipipanone
Molecular Formula:  C24H31NO
Canonical SMILES:  CCC(=O)C(c1ccccc1)(c1ccccc1)CC(N1CCCCC1)C
Standard InCHI:  InChI=1S/C24H31NO/c1-3-23(26)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)19-20(2)25-17-11-6-12-18-25/h4-5,7-10,13-16,20H,3,6,11-12,17-19H2,1-2H3
Standard InCHIKey:  SVDHSZFEQYXRDC-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL; IUPHAR/BPS

  Structural Similarity Between NPASS Natural Products and NPD6027

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 0.8911 NPC167336
Intermediate Similarity 0.819 NPC473418
Intermediate Similarity 0.789 NPC158854
Intermediate Similarity 0.7723 NPC470926
Intermediate Similarity 0.7632 NPC473573
Intermediate Similarity 0.7553 NPC9796
Intermediate Similarity 0.75 NPC285394
Intermediate Similarity 0.7396 NPC272260
Intermediate Similarity 0.7353 NPC298115
Intermediate Similarity 0.7297 NPC45033
Intermediate Similarity 0.729 NPC322598
Intermediate Similarity 0.7245 NPC231986
Intermediate Similarity 0.7238 NPC246757
Intermediate Similarity 0.7238 NPC291070
Intermediate Similarity 0.7216 NPC139901
Intermediate Similarity 0.7216 NPC151405
Intermediate Similarity 0.719 NPC291027
Intermediate Similarity 0.719 NPC84281
Intermediate Similarity 0.719 NPC213126
Intermediate Similarity 0.719 NPC317474
Intermediate Similarity 0.719 NPC169485
Intermediate Similarity 0.717 NPC329430
Intermediate Similarity 0.717 NPC256452
Intermediate Similarity 0.7167 NPC27833
Intermediate Similarity 0.7157 NPC305602
Intermediate Similarity 0.7157 NPC69057
Intermediate Similarity 0.7157 NPC17497
Intermediate Similarity 0.7154 NPC79698
Intermediate Similarity 0.7143 NPC59677
Intermediate Similarity 0.7143 NPC95868
Intermediate Similarity 0.7128 NPC285679
Intermediate Similarity 0.7113 NPC103488
Intermediate Similarity 0.7105 NPC292758
Intermediate Similarity 0.7105 NPC65855
Intermediate Similarity 0.7103 NPC185208
Intermediate Similarity 0.7103 NPC219573
Intermediate Similarity 0.7091 NPC239854
Intermediate Similarity 0.7075 NPC71140
Intermediate Similarity 0.7071 NPC273033
Intermediate Similarity 0.7071 NPC12936
Intermediate Similarity 0.7037 NPC239185
Intermediate Similarity 0.7031 NPC313663
Intermediate Similarity 0.7021 NPC74458
Intermediate Similarity 0.7 NPC220698
Intermediate Similarity 0.7 NPC474582
Remote Similarity 0.6991 NPC473498
Remote Similarity 0.6981 NPC323420
Remote Similarity 0.6972 NPC134882
Remote Similarity 0.697 NPC17408
Remote Similarity 0.697 NPC285716
Remote Similarity 0.697 NPC477703
Remote Similarity 0.697 NPC71664
Remote Similarity 0.696 NPC119326
Remote Similarity 0.6953 NPC473962
Remote Similarity 0.6949 NPC246904
Remote Similarity 0.6947 NPC316906
Remote Similarity 0.6942 NPC226143
Remote Similarity 0.6931 NPC273758
Remote Similarity 0.6931 NPC104070
Remote Similarity 0.6923 NPC267262
Remote Similarity 0.6903 NPC476198
Remote Similarity 0.6887 NPC125226
Remote Similarity 0.6881 NPC265220
Remote Similarity 0.6875 NPC126458
Remote Similarity 0.6857 NPC231591
Remote Similarity 0.6857 NPC418308
Remote Similarity 0.6847 NPC476993
Remote Similarity 0.6847 NPC109514
Remote Similarity 0.6832 NPC230068
Remote Similarity 0.6829 NPC257490
Remote Similarity 0.6818 NPC49994
Remote Similarity 0.6818 NPC75724
Remote Similarity 0.6807 NPC33742
Remote Similarity 0.6807 NPC113099
Remote Similarity 0.68 NPC190567
Remote Similarity 0.6797 NPC69496
Remote Similarity 0.6796 NPC123476
Remote Similarity 0.6792 NPC19256
Remote Similarity 0.6792 NPC277277
Remote Similarity 0.6772 NPC305717
Remote Similarity 0.6768 NPC2785
Remote Similarity 0.6768 NPC285470
Remote Similarity 0.6768 NPC36342
Remote Similarity 0.6759 NPC289883
Remote Similarity 0.6757 NPC476042
Remote Similarity 0.6754 NPC474695
Remote Similarity 0.6746 NPC474847
Remote Similarity 0.6733 NPC145053
Remote Similarity 0.6729 NPC284475
Remote Similarity 0.6726 NPC472691
Remote Similarity 0.6726 NPC471829
Remote Similarity 0.6726 NPC474866
Remote Similarity 0.6726 NPC471317
Remote Similarity 0.6726 NPC475939
Remote Similarity 0.6723 NPC35850
Remote Similarity 0.6723 NPC276949
Remote Similarity 0.67 NPC300205
Remote Similarity 0.6699 NPC133162
Remote Similarity 0.6698 NPC113307
Remote Similarity 0.6697 NPC472880
Remote Similarity 0.6697 NPC260233
Remote Similarity 0.6693 NPC136453
Remote Similarity 0.6693 NPC65310
Remote Similarity 0.6692 NPC257390
Remote Similarity 0.6667 NPC472164
Remote Similarity 0.6667 NPC60408
Remote Similarity 0.6667 NPC188844
Remote Similarity 0.6667 NPC179726
Remote Similarity 0.6667 NPC1682
Remote Similarity 0.6667 NPC155232
Remote Similarity 0.6667 NPC245966
Remote Similarity 0.6667 NPC177684
Remote Similarity 0.6667 NPC153885
Remote Similarity 0.6667 NPC291962
Remote Similarity 0.6667 NPC473661
Remote Similarity 0.6667 NPC298023
Remote Similarity 0.6641 NPC245836
Remote Similarity 0.6641 NPC152850
Remote Similarity 0.6641 NPC105114
Remote Similarity 0.6641 NPC233910
Remote Similarity 0.6641 NPC71933
Remote Similarity 0.6641 NPC239990
Remote Similarity 0.6641 NPC89923
Remote Similarity 0.664 NPC26285
Remote Similarity 0.6639 NPC470545
Remote Similarity 0.6638 NPC55529
Remote Similarity 0.6637 NPC291610
Remote Similarity 0.6634 NPC157055
Remote Similarity 0.6634 NPC164086
Remote Similarity 0.6613 NPC161956
Remote Similarity 0.6613 NPC112373
Remote Similarity 0.6613 NPC258531
Remote Similarity 0.6612 NPC188010
Remote Similarity 0.661 NPC319579
Remote Similarity 0.6609 NPC67043
Remote Similarity 0.6607 NPC12730
Remote Similarity 0.6606 NPC238219
Remote Similarity 0.6604 NPC157778
Remote Similarity 0.6602 NPC474088
Remote Similarity 0.6585 NPC470546
Remote Similarity 0.6577 NPC472258
Remote Similarity 0.6577 NPC103048
Remote Similarity 0.6574 NPC133461
Remote Similarity 0.6574 NPC187725
Remote Similarity 0.6574 NPC141607
Remote Similarity 0.6571 NPC203076
Remote Similarity 0.6571 NPC307
Remote Similarity 0.6571 NPC160339
Remote Similarity 0.6566 NPC271642
Remote Similarity 0.656 NPC314192
Remote Similarity 0.6557 NPC470544
Remote Similarity 0.6552 NPC472700
Remote Similarity 0.6552 NPC472699
Remote Similarity 0.6541 NPC151706
Remote Similarity 0.6541 NPC118099
Remote Similarity 0.6541 NPC273907
Remote Similarity 0.6541 NPC49577
Remote Similarity 0.6541 NPC293377
Remote Similarity 0.6541 NPC474811
Remote Similarity 0.6541 NPC475598
Remote Similarity 0.6541 NPC474787
Remote Similarity 0.6541 NPC260045
Remote Similarity 0.6541 NPC90194
Remote Similarity 0.6541 NPC76785
Remote Similarity 0.6541 NPC9687
Remote Similarity 0.6541 NPC475318
Remote Similarity 0.6541 NPC474855
Remote Similarity 0.6541 NPC79465
Remote Similarity 0.6541 NPC476102
Remote Similarity 0.6538 NPC169016
Remote Similarity 0.6531 NPC208075
Remote Similarity 0.6519 NPC153007
Remote Similarity 0.6509 NPC43945
Remote Similarity 0.6508 NPC268534
Remote Similarity 0.6504 NPC476440
Remote Similarity 0.6496 NPC472695
Remote Similarity 0.6496 NPC472696
Remote Similarity 0.6496 NPC472701
Remote Similarity 0.6496 NPC472683
Remote Similarity 0.6493 NPC471123
Remote Similarity 0.6489 NPC157311
Remote Similarity 0.6486 NPC12695
Remote Similarity 0.6481 NPC303967
Remote Similarity 0.6481 NPC67585
Remote Similarity 0.6481 NPC110420
Remote Similarity 0.6481 NPC173413
Remote Similarity 0.6481 NPC58872
Remote Similarity 0.648 NPC302169
Remote Similarity 0.6466 NPC471186
Remote Similarity 0.6465 NPC98976
Remote Similarity 0.6462 NPC116057
Remote Similarity 0.6462 NPC473322
Remote Similarity 0.6462 NPC111428
Remote Similarity 0.646 NPC221825
Remote Similarity 0.6455 NPC34243
Remote Similarity 0.6442 NPC119677
Remote Similarity 0.6442 NPC215008
Remote Similarity 0.6441 NPC470252
Remote Similarity 0.6439 NPC44805
Remote Similarity 0.6439 NPC8761

Drug Structure

External Identifiers

TTD  
DrugBank   DB01491
ChEMBL   CHEMBL2111157
IUPHAR/BPS   9081
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI   135479
CAS Number  467-83-4

Drug Properties

Molecular Weight  349.24
ALogP  -1.3118
MLogP  3.88
XLogP  8.111
HDA  2
HBD  0
Rotatable Bonds  9
TPSA  20.31
RO5 Violation  1