Drug Information

Drug ID:  NPD7255
Drug Name:  
Molecular Formula:  C29H35N3O7
Canonical SMILES:  COc1cc(ccc1OC)N(C(=O)c1ccc(cc1)N(=O)=O)CCCN(CCc1ccc(c(c1)OC)OC)C
Standard InCHI:  InChI=1S/C29H35N3O7/c1-30(18-15-21-7-13-25(36-2)27(19-21)38-4)16-6-17-31(24-12-14-26(37-3)28(20-24)39-5)29(33)22-8-10-23(11-9-22)32(34)35/h7-14,19-20H,6,15-18H2,1-5H3
Standard InCHIKey:  ADAGRLDCCJAKFP-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7255

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
Intermediate Similarity 0.81 NPC471561
Intermediate Similarity 0.7919 NPC5374
Intermediate Similarity 0.7884 NPC288305
Intermediate Similarity 0.7868 NPC71124
Intermediate Similarity 0.7822 NPC308943
Intermediate Similarity 0.7811 NPC268077
Intermediate Similarity 0.7761 NPC207971
Intermediate Similarity 0.7756 NPC471532
Intermediate Similarity 0.7755 NPC254957
Intermediate Similarity 0.7635 NPC475147
Intermediate Similarity 0.7608 NPC471531
Intermediate Similarity 0.7586 NPC473460
Intermediate Similarity 0.7571 NPC126556
Intermediate Similarity 0.7571 NPC313327
Intermediate Similarity 0.756 NPC55470
Intermediate Similarity 0.7552 NPC5167
Intermediate Similarity 0.7548 NPC159815
Intermediate Similarity 0.7524 NPC207873
Intermediate Similarity 0.7524 NPC90185
Intermediate Similarity 0.7524 NPC100573
Intermediate Similarity 0.7488 NPC475133
Intermediate Similarity 0.7487 NPC299582
Intermediate Similarity 0.7476 NPC222561
Intermediate Similarity 0.7464 NPC10732
Intermediate Similarity 0.7461 NPC222524
Intermediate Similarity 0.7461 NPC85613
Intermediate Similarity 0.7419 NPC93653
Intermediate Similarity 0.7395 NPC148124
Intermediate Similarity 0.7381 NPC119722
Intermediate Similarity 0.7353 NPC127178
Intermediate Similarity 0.735 NPC473004
Intermediate Similarity 0.7349 NPC99724
Intermediate Similarity 0.7339 NPC248903
Intermediate Similarity 0.7333 NPC295479
Intermediate Similarity 0.7333 NPC220241
Intermediate Similarity 0.7302 NPC318525
Intermediate Similarity 0.7302 NPC10653
Intermediate Similarity 0.7299 NPC470482
Intermediate Similarity 0.7299 NPC470481
Intermediate Similarity 0.7295 NPC473422
Intermediate Similarity 0.7294 NPC26928
Intermediate Similarity 0.7292 NPC73280
Intermediate Similarity 0.7286 NPC269449
Intermediate Similarity 0.7273 NPC116007
Intermediate Similarity 0.7264 NPC268223
Intermediate Similarity 0.7255 NPC100863
Intermediate Similarity 0.7243 NPC119669
Intermediate Similarity 0.723 NPC298449
Intermediate Similarity 0.7211 NPC153631
Intermediate Similarity 0.72 NPC169387
Intermediate Similarity 0.72 NPC477186
Intermediate Similarity 0.72 NPC477259
Intermediate Similarity 0.7179 NPC285941
Intermediate Similarity 0.717 NPC82541
Intermediate Similarity 0.7164 NPC208890
Intermediate Similarity 0.7163 NPC41216
Intermediate Similarity 0.715 NPC471604
Intermediate Similarity 0.713 NPC195120
Intermediate Similarity 0.713 NPC87560
Intermediate Similarity 0.713 NPC182853
Intermediate Similarity 0.7129 NPC38961
Intermediate Similarity 0.7129 NPC1820
Intermediate Similarity 0.7108 NPC230313
Intermediate Similarity 0.7107 NPC283810
Intermediate Similarity 0.71 NPC83511
Intermediate Similarity 0.7095 NPC477161
Intermediate Similarity 0.7083 NPC195636
Intermediate Similarity 0.7079 NPC473008
Intermediate Similarity 0.7071 NPC190461
Intermediate Similarity 0.7062 NPC266425
Intermediate Similarity 0.7044 NPC22476
Intermediate Similarity 0.7032 NPC118189
Intermediate Similarity 0.7024 NPC243626
Intermediate Similarity 0.7024 NPC198401
Intermediate Similarity 0.7019 NPC138830
Intermediate Similarity 0.7019 NPC67904
Intermediate Similarity 0.7009 NPC61731
Intermediate Similarity 0.7009 NPC186569
Intermediate Similarity 0.7005 NPC17677
Intermediate Similarity 0.7005 NPC193906
Intermediate Similarity 0.7005 NPC23080
Remote Similarity 0.6995 NPC476569
Remote Similarity 0.6995 NPC85661
Remote Similarity 0.6991 NPC160113
Remote Similarity 0.6991 NPC476220
Remote Similarity 0.699 NPC477258
Remote Similarity 0.699 NPC470023
Remote Similarity 0.6986 NPC118154
Remote Similarity 0.6986 NPC157983
Remote Similarity 0.6986 NPC476069
Remote Similarity 0.6982 NPC476436
Remote Similarity 0.6979 NPC135006
Remote Similarity 0.6977 NPC127996
Remote Similarity 0.697 NPC287152
Remote Similarity 0.6967 NPC163829
Remote Similarity 0.6957 NPC161804
Remote Similarity 0.6957 NPC24228
Remote Similarity 0.6955 NPC128476
Remote Similarity 0.6955 NPC46259
Remote Similarity 0.6955 NPC76478
Remote Similarity 0.6954 NPC303581
Remote Similarity 0.6954 NPC67978
Remote Similarity 0.695 NPC27887
Remote Similarity 0.6948 NPC46679
Remote Similarity 0.6944 NPC124658
Remote Similarity 0.6944 NPC227361
Remote Similarity 0.6944 NPC473006
Remote Similarity 0.6943 NPC24954
Remote Similarity 0.6934 NPC158551
Remote Similarity 0.6931 NPC33902
Remote Similarity 0.6931 NPC276674
Remote Similarity 0.6916 NPC121510
Remote Similarity 0.6916 NPC171882
Remote Similarity 0.6905 NPC471489
Remote Similarity 0.6901 NPC16249
Remote Similarity 0.6897 NPC21425
Remote Similarity 0.6895 NPC134702
Remote Similarity 0.6895 NPC470708
Remote Similarity 0.6886 NPC291173
Remote Similarity 0.6884 NPC308267
Remote Similarity 0.6881 NPC249405
Remote Similarity 0.6881 NPC473007
Remote Similarity 0.6878 NPC7560
Remote Similarity 0.687 NPC476258
Remote Similarity 0.687 NPC304837
Remote Similarity 0.6866 NPC236668
Remote Similarity 0.6864 NPC288110
Remote Similarity 0.6863 NPC320088
Remote Similarity 0.6861 NPC19175
Remote Similarity 0.6853 NPC86469
Remote Similarity 0.685 NPC287588
Remote Similarity 0.6835 NPC146976
Remote Similarity 0.6835 NPC148391
Remote Similarity 0.6832 NPC179704
Remote Similarity 0.6829 NPC473569
Remote Similarity 0.6829 NPC312531
Remote Similarity 0.6828 NPC476429
Remote Similarity 0.6823 NPC301163
Remote Similarity 0.6823 NPC57512
Remote Similarity 0.682 NPC91234
Remote Similarity 0.6818 NPC164608
Remote Similarity 0.6812 NPC470017
Remote Similarity 0.6812 NPC154922
Remote Similarity 0.6808 NPC14339
Remote Similarity 0.6807 NPC303374
Remote Similarity 0.68 NPC470480
Remote Similarity 0.6794 NPC470021
Remote Similarity 0.6793 NPC213206
Remote Similarity 0.6793 NPC328750
Remote Similarity 0.6793 NPC188163
Remote Similarity 0.6793 NPC474915
Remote Similarity 0.6789 NPC114468
Remote Similarity 0.6787 NPC256422
Remote Similarity 0.6786 NPC231924
Remote Similarity 0.6786 NPC122886
Remote Similarity 0.6786 NPC115588
Remote Similarity 0.678 NPC172403
Remote Similarity 0.6763 NPC204970
Remote Similarity 0.6763 NPC206109
Remote Similarity 0.6763 NPC114039
Remote Similarity 0.6762 NPC234933
Remote Similarity 0.6759 NPC477160
Remote Similarity 0.6758 NPC2905
Remote Similarity 0.6758 NPC290227
Remote Similarity 0.6754 NPC476580
Remote Similarity 0.6748 NPC174629
Remote Similarity 0.6748 NPC45389
Remote Similarity 0.6744 NPC478075
Remote Similarity 0.6743 NPC116178
Remote Similarity 0.6742 NPC77777
Remote Similarity 0.6739 NPC314682
Remote Similarity 0.6733 NPC121400
Remote Similarity 0.6729 NPC87714
Remote Similarity 0.6727 NPC38964
Remote Similarity 0.6727 NPC240684
Remote Similarity 0.6726 NPC13249
Remote Similarity 0.6723 NPC120239
Remote Similarity 0.6717 NPC112336
Remote Similarity 0.6717 NPC474814
Remote Similarity 0.6716 NPC102760
Remote Similarity 0.6714 NPC473005
Remote Similarity 0.6712 NPC321166
Remote Similarity 0.6712 NPC217903
Remote Similarity 0.6711 NPC217176
Remote Similarity 0.6702 NPC476579
Remote Similarity 0.6701 NPC231198
Remote Similarity 0.67 NPC314659
Remote Similarity 0.6696 NPC253675
Remote Similarity 0.6683 NPC226708
Remote Similarity 0.6683 NPC473748
Remote Similarity 0.6683 NPC262725
Remote Similarity 0.6683 NPC32064
Remote Similarity 0.6681 NPC285254
Remote Similarity 0.6667 NPC111492
Remote Similarity 0.6667 NPC82056
Remote Similarity 0.6667 NPC113455
Remote Similarity 0.6667 NPC308197
Remote Similarity 0.6667 NPC474904
Remote Similarity 0.6667 NPC210437
Remote Similarity 0.6667 NPC270515

Drug Structure

External Identifiers

TTD   DIB010031
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   656770
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  537.25
ALogP  -0.064
MLogP  3.55
XLogP  5.252
HDA  3
HBD  0
Rotatable Bonds  21
TPSA  103.61
RO5 Violation  2