Drug Information

Drug ID:  NPD1309
Drug Name:  Sar-407899
Molecular Formula:  C14H16N2O2
Canonical SMILES:  O=c1[nH]ccc2c1ccc(c2)OC1CCNCC1
Standard InCHI:  InChI=1S/C14H16N2O2/c17-14-13-2-1-12(9-10(13)3-8-16-14)18-11-4-6-15-7-5-11/h1-3,8-9,11,15H,4-7H2,(H,16,17)
Standard InCHIKey:  IPEXHQGMTHOKQV-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1309

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 0.7963 NPC119669
Intermediate Similarity 0.7677 NPC266425
Intermediate Similarity 0.7633 NPC135006
Intermediate Similarity 0.755 NPC217277
Intermediate Similarity 0.7444 NPC116007
Intermediate Similarity 0.7416 NPC121400
Intermediate Similarity 0.7384 NPC153631
Intermediate Similarity 0.7353 NPC133817
Intermediate Similarity 0.7353 NPC57512
Intermediate Similarity 0.7353 NPC476443
Intermediate Similarity 0.7348 NPC83511
Intermediate Similarity 0.7345 NPC4669
Intermediate Similarity 0.7342 NPC160692
Intermediate Similarity 0.7341 NPC476569
Intermediate Similarity 0.7337 NPC470708
Intermediate Similarity 0.7278 NPC476580
Intermediate Similarity 0.7267 NPC253429
Intermediate Similarity 0.7263 NPC222524
Intermediate Similarity 0.7222 NPC160747
Intermediate Similarity 0.7202 NPC470088
Intermediate Similarity 0.715 NPC477161
Intermediate Similarity 0.7143 NPC100863
Intermediate Similarity 0.7119 NPC284842
Intermediate Similarity 0.7104 NPC235194
Intermediate Similarity 0.7104 NPC473007
Intermediate Similarity 0.7098 NPC268077
Intermediate Similarity 0.7095 NPC303581
Intermediate Similarity 0.7095 NPC67978
Intermediate Similarity 0.7086 NPC299582
Intermediate Similarity 0.7076 NPC58661
Intermediate Similarity 0.7072 NPC35680
Intermediate Similarity 0.7066 NPC469978
Intermediate Similarity 0.7055 NPC238412
Intermediate Similarity 0.7053 NPC71124
Intermediate Similarity 0.7047 NPC207971
Intermediate Similarity 0.7044 NPC160193
Intermediate Similarity 0.7037 NPC477258
Intermediate Similarity 0.7024 NPC290404
Intermediate Similarity 0.7021 NPC254957
Intermediate Similarity 0.7017 NPC308267
Intermediate Similarity 0.7016 NPC5374
Intermediate Similarity 0.7006 NPC80928
Intermediate Similarity 0.7006 NPC39103
Intermediate Similarity 0.7006 NPC231198
Intermediate Similarity 0.7006 NPC306669
Intermediate Similarity 0.7006 NPC2770
Intermediate Similarity 0.7 NPC227683
Intermediate Similarity 0.7 NPC207824
Intermediate Similarity 0.7 NPC60538
Remote Similarity 0.6995 NPC99723
Remote Similarity 0.6989 NPC477259
Remote Similarity 0.6989 NPC169387
Remote Similarity 0.6984 NPC230313
Remote Similarity 0.6983 NPC73280
Remote Similarity 0.6983 NPC86469
Remote Similarity 0.6964 NPC130926
Remote Similarity 0.6952 NPC283207
Remote Similarity 0.6952 NPC208890
Remote Similarity 0.6952 NPC473008
Remote Similarity 0.6949 NPC475393
Remote Similarity 0.6941 NPC470019
Remote Similarity 0.6936 NPC2295
Remote Similarity 0.6936 NPC477564
Remote Similarity 0.6936 NPC471649
Remote Similarity 0.6919 NPC76213
Remote Similarity 0.6919 NPC476579
Remote Similarity 0.6919 NPC277669
Remote Similarity 0.6919 NPC102760
Remote Similarity 0.6914 NPC132308
Remote Similarity 0.6906 NPC472894
Remote Similarity 0.6905 NPC294249
Remote Similarity 0.6902 NPC27887
Remote Similarity 0.6898 NPC471650
Remote Similarity 0.6895 NPC469816
Remote Similarity 0.6895 NPC469815
Remote Similarity 0.689 NPC307682
Remote Similarity 0.6872 NPC206941
Remote Similarity 0.6867 NPC314682
Remote Similarity 0.6864 NPC189908
Remote Similarity 0.6862 NPC166979
Remote Similarity 0.6859 NPC125924
Remote Similarity 0.6848 NPC327005
Remote Similarity 0.6848 NPC225745
Remote Similarity 0.6848 NPC471316
Remote Similarity 0.6842 NPC214239
Remote Similarity 0.6836 NPC158900
Remote Similarity 0.6832 NPC38964
Remote Similarity 0.6829 NPC311339
Remote Similarity 0.6829 NPC196708
Remote Similarity 0.6826 NPC328750
Remote Similarity 0.6826 NPC474915
Remote Similarity 0.6826 NPC213206
Remote Similarity 0.6826 NPC188163
Remote Similarity 0.6818 NPC93653
Remote Similarity 0.6818 NPC79328
Remote Similarity 0.6816 NPC471651
Remote Similarity 0.6815 NPC298486
Remote Similarity 0.6813 NPC129578
Remote Similarity 0.6809 NPC162694
Remote Similarity 0.6806 NPC243626
Remote Similarity 0.68 NPC80129
Remote Similarity 0.68 NPC187022
Remote Similarity 0.68 NPC93593
Remote Similarity 0.6798 NPC313327
Remote Similarity 0.6793 NPC283810
Remote Similarity 0.6788 NPC99078
Remote Similarity 0.6786 NPC138438
Remote Similarity 0.6786 NPC908
Remote Similarity 0.6786 NPC41216
Remote Similarity 0.678 NPC7393
Remote Similarity 0.6776 NPC252004
Remote Similarity 0.6772 NPC141440
Remote Similarity 0.6772 NPC328267
Remote Similarity 0.677 NPC283079
Remote Similarity 0.6768 NPC167096
Remote Similarity 0.6765 NPC17760
Remote Similarity 0.6765 NPC9373
Remote Similarity 0.6765 NPC82056
Remote Similarity 0.6763 NPC274026
Remote Similarity 0.6761 NPC126519
Remote Similarity 0.6761 NPC203784
Remote Similarity 0.6761 NPC170503
Remote Similarity 0.676 NPC124433
Remote Similarity 0.676 NPC293871
Remote Similarity 0.6757 NPC309692
Remote Similarity 0.6757 NPC472163
Remote Similarity 0.6757 NPC197335
Remote Similarity 0.6755 NPC214629
Remote Similarity 0.6753 NPC241263
Remote Similarity 0.6753 NPC267414
Remote Similarity 0.675 NPC177925
Remote Similarity 0.675 NPC218323
Remote Similarity 0.6748 NPC279596
Remote Similarity 0.6747 NPC220923
Remote Similarity 0.6747 NPC252107
Remote Similarity 0.6744 NPC161544
Remote Similarity 0.6742 NPC26353
Remote Similarity 0.6737 NPC1820
Remote Similarity 0.6736 NPC24228
Remote Similarity 0.6727 NPC277042
Remote Similarity 0.6727 NPC255817
Remote Similarity 0.6727 NPC136330
Remote Similarity 0.6727 NPC251454
Remote Similarity 0.6727 NPC73883
Remote Similarity 0.6727 NPC196609
Remote Similarity 0.6727 NPC180647
Remote Similarity 0.6727 NPC205178
Remote Similarity 0.6727 NPC230698
Remote Similarity 0.6726 NPC470925
Remote Similarity 0.6722 NPC35345
Remote Similarity 0.6721 NPC108434
Remote Similarity 0.6721 NPC475215
Remote Similarity 0.672 NPC329790
Remote Similarity 0.672 NPC314659
Remote Similarity 0.6718 NPC476661
Remote Similarity 0.6717 NPC126211
Remote Similarity 0.6708 NPC172403
Remote Similarity 0.6707 NPC231572
Remote Similarity 0.6707 NPC169766
Remote Similarity 0.6703 NPC5167
Remote Similarity 0.6702 NPC87391
Remote Similarity 0.6702 NPC473004
Remote Similarity 0.6688 NPC316062
Remote Similarity 0.6687 NPC470858
Remote Similarity 0.6687 NPC7018
Remote Similarity 0.6687 NPC106606
Remote Similarity 0.6687 NPC131204
Remote Similarity 0.6687 NPC301050
Remote Similarity 0.6687 NPC473626
Remote Similarity 0.6686 NPC106295
Remote Similarity 0.6686 NPC148898
Remote Similarity 0.6686 NPC308197
Remote Similarity 0.6686 NPC133011
Remote Similarity 0.6686 NPC82285
Remote Similarity 0.6686 NPC51957
Remote Similarity 0.6686 NPC476144
Remote Similarity 0.6686 NPC16107
Remote Similarity 0.6686 NPC476151
Remote Similarity 0.6686 NPC210437
Remote Similarity 0.6685 NPC118804
Remote Similarity 0.6685 NPC195392
Remote Similarity 0.6684 NPC476662
Remote Similarity 0.6683 NPC157958
Remote Similarity 0.6683 NPC257266
Remote Similarity 0.6683 NPC222561
Remote Similarity 0.6667 NPC471646
Remote Similarity 0.6667 NPC29647
Remote Similarity 0.6667 NPC11799
Remote Similarity 0.6667 NPC471647
Remote Similarity 0.6667 NPC25084
Remote Similarity 0.6667 NPC471825
Remote Similarity 0.6667 NPC223125
Remote Similarity 0.6667 NPC141252
Remote Similarity 0.6667 NPC185838
Remote Similarity 0.6667 NPC28368
Remote Similarity 0.6667 NPC247639
Remote Similarity 0.665 NPC257728
Remote Similarity 0.6649 NPC22476
Remote Similarity 0.6647 NPC208170
Remote Similarity 0.6647 NPC128019

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  244.12
ALogP  -1.8657
MLogP  2.56
XLogP  1.619
HDA  3
HBD  2
Rotatable Bonds  2
TPSA  50.36
RO5 Violation  0