Drug Information

Drug ID:  NPD1751
Drug Name:  
Molecular Formula:  C15H21NO
Canonical SMILES:  CN1CC[C@@]2(C[C@H](C1)Cc1c2cc(cc1)O)C
Standard InCHI:  InChI=1S/C15H21NO/c1-15-5-6-16(2)10-11(9-15)7-12-3-4-13(17)8-14(12)15/h3-4,8,11,17H,5-7,9-10H2,1-2H3/t11-,15-/m1/s1
Standard InCHIKey:  ZOWQTJXNFTWSCS-IAQYHMDHSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD1751

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 0.8862 NPC8305
High Similarity 0.8862 NPC66177
High Similarity 0.8862 NPC268763
High Similarity 0.872 NPC89769
High Similarity 0.872 NPC126859
High Similarity 0.872 NPC259665
High Similarity 0.864 NPC124802
Intermediate Similarity 0.8295 NPC149379
Intermediate Similarity 0.822 NPC322753
Intermediate Similarity 0.8151 NPC250323
Intermediate Similarity 0.8142 NPC155847
Intermediate Similarity 0.8142 NPC211885
Intermediate Similarity 0.8142 NPC289381
Intermediate Similarity 0.8136 NPC13482
Intermediate Similarity 0.8136 NPC141782
Intermediate Similarity 0.812 NPC11554
Intermediate Similarity 0.8067 NPC176279
Intermediate Similarity 0.8067 NPC260323
Intermediate Similarity 0.8051 NPC58865
Intermediate Similarity 0.8034 NPC151477
Intermediate Similarity 0.8017 NPC195922
Intermediate Similarity 0.7965 NPC225464
Intermediate Similarity 0.7949 NPC21594
Intermediate Similarity 0.7895 NPC92730
Intermediate Similarity 0.7869 NPC268160
Intermediate Similarity 0.7863 NPC117115
Intermediate Similarity 0.7857 NPC316301
Intermediate Similarity 0.7857 NPC27323
Intermediate Similarity 0.7823 NPC477136
Intermediate Similarity 0.782 NPC325568
Intermediate Similarity 0.7807 NPC32674
Intermediate Similarity 0.7805 NPC35797
Intermediate Similarity 0.7805 NPC192948
Intermediate Similarity 0.7805 NPC147179
Intermediate Similarity 0.7788 NPC222146
Intermediate Similarity 0.7787 NPC715
Intermediate Similarity 0.7778 NPC321133
Intermediate Similarity 0.7769 NPC77772
Intermediate Similarity 0.7769 NPC151537
Intermediate Similarity 0.7769 NPC266937
Intermediate Similarity 0.7769 NPC95716
Intermediate Similarity 0.7769 NPC470770
Intermediate Similarity 0.7768 NPC55903
Intermediate Similarity 0.776 NPC48342
Intermediate Similarity 0.776 NPC164649
Intermediate Similarity 0.7742 NPC471668
Intermediate Similarity 0.7742 NPC308828
Intermediate Similarity 0.7742 NPC308311
Intermediate Similarity 0.7742 NPC474358
Intermediate Similarity 0.7742 NPC247858
Intermediate Similarity 0.7742 NPC257540
Intermediate Similarity 0.7742 NPC474387
Intermediate Similarity 0.7742 NPC154511
Intermediate Similarity 0.7742 NPC38893
Intermediate Similarity 0.7742 NPC219112
Intermediate Similarity 0.7742 NPC137496
Intermediate Similarity 0.7742 NPC477137
Intermediate Similarity 0.7739 NPC33675
Intermediate Similarity 0.7739 NPC252821
Intermediate Similarity 0.7739 NPC122005
Intermediate Similarity 0.7739 NPC299762
Intermediate Similarity 0.7731 NPC320439
Intermediate Similarity 0.7705 NPC62867
Intermediate Similarity 0.7705 NPC46940
Intermediate Similarity 0.7705 NPC177962
Intermediate Similarity 0.7705 NPC228425
Intermediate Similarity 0.7698 NPC42657
Intermediate Similarity 0.7686 NPC474149
Intermediate Similarity 0.768 NPC172219
Intermediate Similarity 0.768 NPC304510
Intermediate Similarity 0.768 NPC16030
Intermediate Similarity 0.7679 NPC304541
Intermediate Similarity 0.7679 NPC155908
Intermediate Similarity 0.7674 NPC307020
Intermediate Similarity 0.7672 NPC225506
Intermediate Similarity 0.7664 NPC150712
Intermediate Similarity 0.7652 NPC79241
Intermediate Similarity 0.7652 NPC77492
Intermediate Similarity 0.7652 NPC6597
Intermediate Similarity 0.7638 NPC318552
Intermediate Similarity 0.7638 NPC99734
Intermediate Similarity 0.7638 NPC190501
Intermediate Similarity 0.7632 NPC274678
Intermediate Similarity 0.7627 NPC238696
Intermediate Similarity 0.7627 NPC254965
Intermediate Similarity 0.7627 NPC327811
Intermediate Similarity 0.7619 NPC471671
Intermediate Similarity 0.7619 NPC469609
Intermediate Similarity 0.7607 NPC252105
Intermediate Similarity 0.7603 NPC314187
Intermediate Similarity 0.76 NPC469663
Intermediate Similarity 0.76 NPC141001
Intermediate Similarity 0.76 NPC92
Intermediate Similarity 0.7581 NPC471534
Intermediate Similarity 0.7578 NPC259703
Intermediate Similarity 0.7578 NPC32322
Intermediate Similarity 0.7578 NPC241001
Intermediate Similarity 0.7578 NPC328504
Intermediate Similarity 0.7565 NPC312132
Intermediate Similarity 0.7565 NPC473388
Intermediate Similarity 0.7565 NPC82664
Intermediate Similarity 0.7565 NPC259512
Intermediate Similarity 0.7565 NPC292730
Intermediate Similarity 0.7565 NPC202986
Intermediate Similarity 0.7565 NPC216520
Intermediate Similarity 0.7565 NPC132271
Intermediate Similarity 0.7561 NPC471179
Intermediate Similarity 0.7559 NPC469644
Intermediate Similarity 0.7559 NPC31296
Intermediate Similarity 0.7559 NPC93071
Intermediate Similarity 0.7559 NPC126002
Intermediate Similarity 0.7559 NPC79933
Intermediate Similarity 0.7559 NPC473974
Intermediate Similarity 0.7559 NPC258366
Intermediate Similarity 0.7544 NPC245187
Intermediate Similarity 0.7544 NPC152415
Intermediate Similarity 0.7544 NPC76938
Intermediate Similarity 0.7542 NPC68055
Intermediate Similarity 0.7542 NPC178902
Intermediate Similarity 0.7541 NPC132720
Intermediate Similarity 0.7521 NPC24101
Intermediate Similarity 0.7521 NPC153690
Intermediate Similarity 0.7521 NPC72729
Intermediate Similarity 0.7521 NPC96224
Intermediate Similarity 0.7521 NPC64586
Intermediate Similarity 0.752 NPC469719
Intermediate Similarity 0.7519 NPC77569
Intermediate Similarity 0.7519 NPC142198
Intermediate Similarity 0.75 NPC68339
Intermediate Similarity 0.75 NPC231705
Intermediate Similarity 0.75 NPC318325
Intermediate Similarity 0.75 NPC260832
Intermediate Similarity 0.75 NPC258219
Intermediate Similarity 0.75 NPC271274
Intermediate Similarity 0.75 NPC477814
Intermediate Similarity 0.75 NPC135467
Intermediate Similarity 0.75 NPC156313
Intermediate Similarity 0.75 NPC123273
Intermediate Similarity 0.75 NPC242240
Intermediate Similarity 0.748 NPC85276
Intermediate Similarity 0.748 NPC154030
Intermediate Similarity 0.7479 NPC120719
Intermediate Similarity 0.7478 NPC8392
Intermediate Similarity 0.7478 NPC32714
Intermediate Similarity 0.7478 NPC144682
Intermediate Similarity 0.7478 NPC26244
Intermediate Similarity 0.7462 NPC121168
Intermediate Similarity 0.7459 NPC258056
Intermediate Similarity 0.7459 NPC228343
Intermediate Similarity 0.7459 NPC254833
Intermediate Similarity 0.7456 NPC3358
Intermediate Similarity 0.7456 NPC147284
Intermediate Similarity 0.7456 NPC210497
Intermediate Similarity 0.7456 NPC94139
Intermediate Similarity 0.7456 NPC306884
Intermediate Similarity 0.7456 NPC162314
Intermediate Similarity 0.744 NPC107240
Intermediate Similarity 0.744 NPC118202
Intermediate Similarity 0.744 NPC142599
Intermediate Similarity 0.7438 NPC142297
Intermediate Similarity 0.7436 NPC125732
Intermediate Similarity 0.7434 NPC192
Intermediate Similarity 0.7422 NPC151197
Intermediate Similarity 0.7422 NPC268572
Intermediate Similarity 0.7417 NPC138942
Intermediate Similarity 0.7417 NPC47284
Intermediate Similarity 0.7417 NPC239291
Intermediate Similarity 0.7411 NPC27974
Intermediate Similarity 0.7411 NPC113460
Intermediate Similarity 0.7411 NPC25493
Intermediate Similarity 0.7402 NPC283468
Intermediate Similarity 0.7398 NPC296683
Intermediate Similarity 0.7395 NPC168829
Intermediate Similarity 0.7395 NPC269212
Intermediate Similarity 0.7391 NPC289769
Intermediate Similarity 0.7391 NPC151715
Intermediate Similarity 0.7385 NPC162935
Intermediate Similarity 0.7385 NPC154696
Intermediate Similarity 0.7385 NPC253627
Intermediate Similarity 0.7385 NPC249340
Intermediate Similarity 0.7368 NPC306074
Intermediate Similarity 0.7368 NPC45040
Intermediate Similarity 0.736 NPC321589
Intermediate Similarity 0.736 NPC322239
Intermediate Similarity 0.7355 NPC53740
Intermediate Similarity 0.7355 NPC54765
Intermediate Similarity 0.7355 NPC310456
Intermediate Similarity 0.7355 NPC155072
Intermediate Similarity 0.7345 NPC177420
Intermediate Similarity 0.7345 NPC280347
Intermediate Similarity 0.7345 NPC98772
Intermediate Similarity 0.7344 NPC206
Intermediate Similarity 0.7344 NPC328694
Intermediate Similarity 0.7344 NPC122009
Intermediate Similarity 0.7333 NPC475225
Intermediate Similarity 0.7333 NPC323810
Intermediate Similarity 0.7333 NPC288411
Intermediate Similarity 0.7333 NPC475580
Intermediate Similarity 0.7333 NPC272029
Intermediate Similarity 0.7328 NPC297057

Drug Structure

External Identifiers

TTD   DNAP001502
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   11630995
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  231.16
ALogP  0.5425
MLogP  2.89
XLogP  2.999
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  23.47
RO5 Violation  0