Drug Information

Drug ID:  NPD518
Drug Name:  
Molecular Formula:  C11H13NO3
Canonical SMILES:  COC(=O)c1ccccc1C(=O)N(C)C
Standard InCHI:  InChI=1S/C11H13NO3/c1-12(2)10(13)8-6-4-5-7-9(8)11(14)15-3/h4-7H,1-3H3
Standard InCHIKey:  HJPZFXYWMRWNHV-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD518

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 0.8103 NPC31786
Intermediate Similarity 0.7966 NPC119271
Intermediate Similarity 0.7899 NPC56493
Intermediate Similarity 0.7833 NPC85493
Intermediate Similarity 0.7833 NPC17417
Intermediate Similarity 0.7833 NPC10251
Intermediate Similarity 0.7778 NPC45613
Intermediate Similarity 0.7769 NPC174099
Intermediate Similarity 0.7769 NPC251854
Intermediate Similarity 0.7769 NPC214067
Intermediate Similarity 0.7769 NPC93084
Intermediate Similarity 0.7769 NPC196246
Intermediate Similarity 0.775 NPC55529
Intermediate Similarity 0.7719 NPC130398
Intermediate Similarity 0.7712 NPC89886
Intermediate Similarity 0.7705 NPC260818
Intermediate Similarity 0.7705 NPC1082
Intermediate Similarity 0.7705 NPC305912
Intermediate Similarity 0.7686 NPC83628
Intermediate Similarity 0.7686 NPC265407
Intermediate Similarity 0.7667 NPC37622
Intermediate Similarity 0.7667 NPC30594
Intermediate Similarity 0.7642 NPC82899
Intermediate Similarity 0.7642 NPC321852
Intermediate Similarity 0.7642 NPC270699
Intermediate Similarity 0.7586 NPC276775
Intermediate Similarity 0.7586 NPC92754
Intermediate Similarity 0.7586 NPC249912
Intermediate Similarity 0.7583 NPC209632
Intermediate Similarity 0.7574 NPC266425
Intermediate Similarity 0.7563 NPC60679
Intermediate Similarity 0.7538 NPC26285
Intermediate Similarity 0.7521 NPC78701
Intermediate Similarity 0.7521 NPC35448
Intermediate Similarity 0.7521 NPC225060
Intermediate Similarity 0.752 NPC153053
Intermediate Similarity 0.75 NPC114594
Intermediate Similarity 0.7458 NPC146351
Intermediate Similarity 0.7458 NPC203925
Intermediate Similarity 0.7438 NPC476198
Intermediate Similarity 0.7419 NPC474157
Intermediate Similarity 0.7419 NPC210089
Intermediate Similarity 0.7398 NPC99846
Intermediate Similarity 0.7398 NPC269023
Intermediate Similarity 0.7395 NPC70624
Intermediate Similarity 0.7395 NPC42211
Intermediate Similarity 0.7391 NPC173295
Intermediate Similarity 0.7381 NPC307651
Intermediate Similarity 0.7373 NPC229242
Intermediate Similarity 0.7333 NPC188895
Intermediate Similarity 0.7311 NPC118343
Intermediate Similarity 0.7311 NPC325497
Intermediate Similarity 0.7302 NPC272524
Intermediate Similarity 0.7297 NPC119669
Intermediate Similarity 0.7293 NPC226794
Intermediate Similarity 0.728 NPC167504
Intermediate Similarity 0.7273 NPC474365
Intermediate Similarity 0.7273 NPC301943
Intermediate Similarity 0.7266 NPC149691
Intermediate Similarity 0.725 NPC282895
Intermediate Similarity 0.7244 NPC308744
Intermediate Similarity 0.7222 NPC79496
Intermediate Similarity 0.72 NPC158854
Intermediate Similarity 0.7188 NPC474685
Intermediate Similarity 0.7188 NPC210092
Intermediate Similarity 0.712 NPC469636
Intermediate Similarity 0.7113 NPC319645
Intermediate Similarity 0.7109 NPC237366
Intermediate Similarity 0.7101 NPC314098
Intermediate Similarity 0.7054 NPC306740
Intermediate Similarity 0.7049 NPC284477
Intermediate Similarity 0.7031 NPC128368
Intermediate Similarity 0.7018 NPC318107
Intermediate Similarity 0.7016 NPC269457
Intermediate Similarity 0.7008 NPC243355
Intermediate Similarity 0.7 NPC100353
Remote Similarity 0.6992 NPC255676
Remote Similarity 0.6984 NPC474364
Remote Similarity 0.6983 NPC173443
Remote Similarity 0.6977 NPC196075
Remote Similarity 0.6977 NPC477411
Remote Similarity 0.6968 NPC135006
Remote Similarity 0.6957 NPC122235
Remote Similarity 0.6953 NPC269340
Remote Similarity 0.6953 NPC212415
Remote Similarity 0.6923 NPC281104
Remote Similarity 0.6911 NPC304873
Remote Similarity 0.6905 NPC470391
Remote Similarity 0.6899 NPC13784
Remote Similarity 0.6899 NPC161611
Remote Similarity 0.6891 NPC261181
Remote Similarity 0.6885 NPC217621
Remote Similarity 0.6875 NPC476003
Remote Similarity 0.687 NPC226093
Remote Similarity 0.686 NPC253423
Remote Similarity 0.6846 NPC474363
Remote Similarity 0.6842 NPC229353
Remote Similarity 0.6835 NPC213969
Remote Similarity 0.6835 NPC165726
Remote Similarity 0.6831 NPC253476
Remote Similarity 0.6822 NPC158282
Remote Similarity 0.6812 NPC250476
Remote Similarity 0.681 NPC89377
Remote Similarity 0.6803 NPC322598
Remote Similarity 0.6794 NPC81808
Remote Similarity 0.6794 NPC228936
Remote Similarity 0.678 NPC62765
Remote Similarity 0.6774 NPC25458
Remote Similarity 0.6769 NPC474176
Remote Similarity 0.6767 NPC228318
Remote Similarity 0.6759 NPC238412
Remote Similarity 0.6759 NPC471316
Remote Similarity 0.6754 NPC288903
Remote Similarity 0.6753 NPC470708
Remote Similarity 0.6746 NPC105899
Remote Similarity 0.6742 NPC135730
Remote Similarity 0.6741 NPC473243
Remote Similarity 0.6739 NPC246166
Remote Similarity 0.6739 NPC205946
Remote Similarity 0.6739 NPC295664
Remote Similarity 0.6721 NPC270654
Remote Similarity 0.6719 NPC318327
Remote Similarity 0.6715 NPC223351
Remote Similarity 0.6715 NPC46634
Remote Similarity 0.6709 NPC153631
Remote Similarity 0.6695 NPC220893
Remote Similarity 0.6694 NPC473325
Remote Similarity 0.6694 NPC112552
Remote Similarity 0.6694 NPC256452
Remote Similarity 0.6692 NPC474314
Remote Similarity 0.6692 NPC66208
Remote Similarity 0.6691 NPC124776
Remote Similarity 0.6691 NPC50872
Remote Similarity 0.6689 NPC308197
Remote Similarity 0.6667 NPC204784
Remote Similarity 0.6667 NPC474095
Remote Similarity 0.6667 NPC246412
Remote Similarity 0.6667 NPC285394
Remote Similarity 0.6645 NPC471649
Remote Similarity 0.6642 NPC240664
Remote Similarity 0.6641 NPC211439
Remote Similarity 0.6641 NPC249811
Remote Similarity 0.6639 NPC61944
Remote Similarity 0.6638 NPC58616
Remote Similarity 0.6638 NPC294134
Remote Similarity 0.6627 NPC99723
Remote Similarity 0.6621 NPC196708
Remote Similarity 0.662 NPC231382
Remote Similarity 0.6617 NPC220540
Remote Similarity 0.6617 NPC188907
Remote Similarity 0.6615 NPC291799
Remote Similarity 0.6612 NPC71140
Remote Similarity 0.661 NPC304760
Remote Similarity 0.6583 NPC119631
Remote Similarity 0.6579 NPC242000
Remote Similarity 0.6571 NPC476599
Remote Similarity 0.6571 NPC121272
Remote Similarity 0.6569 NPC144547
Remote Similarity 0.6567 NPC131192
Remote Similarity 0.6567 NPC128825
Remote Similarity 0.6565 NPC23332
Remote Similarity 0.6565 NPC181390
Remote Similarity 0.6562 NPC1065
Remote Similarity 0.6556 NPC473541
Remote Similarity 0.6547 NPC228739
Remote Similarity 0.6547 NPC182646
Remote Similarity 0.6541 NPC470764
Remote Similarity 0.6541 NPC186933
Remote Similarity 0.6531 NPC315224
Remote Similarity 0.6525 NPC51292
Remote Similarity 0.6525 NPC218323
Remote Similarity 0.6525 NPC169913
Remote Similarity 0.6524 NPC67978
Remote Similarity 0.6524 NPC303581
Remote Similarity 0.6519 NPC45104
Remote Similarity 0.6519 NPC93653
Remote Similarity 0.6519 NPC217423
Remote Similarity 0.6506 NPC222524
Remote Similarity 0.6503 NPC86469
Remote Similarity 0.65 NPC470163
Remote Similarity 0.65 NPC470162
Remote Similarity 0.65 NPC470343
Remote Similarity 0.65 NPC472244
Remote Similarity 0.6496 NPC130931
Remote Similarity 0.6496 NPC988
Remote Similarity 0.6496 NPC289432
Remote Similarity 0.6496 NPC150323
Remote Similarity 0.6493 NPC160179
Remote Similarity 0.6489 NPC183648
Remote Similarity 0.6489 NPC474057
Remote Similarity 0.6486 NPC242933
Remote Similarity 0.648 NPC228435
Remote Similarity 0.6479 NPC81092
Remote Similarity 0.6479 NPC103605
Remote Similarity 0.6475 NPC217756
Remote Similarity 0.6475 NPC474974
Remote Similarity 0.6475 NPC472703
Remote Similarity 0.6471 NPC94298
Remote Similarity 0.6471 NPC94637
Remote Similarity 0.6471 NPC27633

Drug Structure

External Identifiers

TTD   DNCL002647
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   213517
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  207.09
ALogP  -0.419
MLogP  2.23
XLogP  1.945
HDA  4
HBD  0
Rotatable Bonds  7
TPSA  46.61
RO5 Violation  0