Drug Information

Drug ID:  NPD710
Drug Name:  
Molecular Formula:  C12H11NO3
Canonical SMILES:  O=N(=O)c1cc2c(o1)c1CCCCc1cc2
Standard InCHI:  InChI=1S/C12H11NO3/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h5-7H,1-4H2
Standard InCHIKey:  DZLOYALXDCQGTA-UHFFFAOYSA-N
Max Developmental Stage:  Clinical (unspecified phase)
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD710

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 0.7407 NPC233707
Intermediate Similarity 0.7382 NPC38961
Intermediate Similarity 0.7375 NPC209858
Intermediate Similarity 0.7375 NPC324117
Intermediate Similarity 0.7303 NPC246214
Intermediate Similarity 0.7268 NPC46679
Intermediate Similarity 0.7245 NPC186569
Intermediate Similarity 0.7245 NPC61731
Intermediate Similarity 0.7231 NPC171882
Intermediate Similarity 0.7231 NPC85661
Intermediate Similarity 0.7231 NPC121510
Intermediate Similarity 0.7188 NPC279596
Intermediate Similarity 0.7172 NPC124658
Intermediate Similarity 0.7172 NPC227361
Intermediate Similarity 0.7143 NPC290038
Intermediate Similarity 0.7083 NPC158871
Intermediate Similarity 0.7037 NPC183103
Intermediate Similarity 0.7035 NPC91234
Intermediate Similarity 0.7012 NPC217914
Intermediate Similarity 0.7005 NPC90185
Remote Similarity 0.6995 NPC256422
Remote Similarity 0.6994 NPC470406
Remote Similarity 0.6994 NPC13282
Remote Similarity 0.6982 NPC117674
Remote Similarity 0.6981 NPC474737
Remote Similarity 0.6977 NPC95526
Remote Similarity 0.6965 NPC290227
Remote Similarity 0.6963 NPC308895
Remote Similarity 0.6957 NPC57552
Remote Similarity 0.6946 NPC112757
Remote Similarity 0.6941 NPC93241
Remote Similarity 0.6941 NPC27798
Remote Similarity 0.6936 NPC472298
Remote Similarity 0.6931 NPC240684
Remote Similarity 0.6919 NPC150215
Remote Similarity 0.6903 NPC137710
Remote Similarity 0.6894 NPC50583
Remote Similarity 0.6886 NPC265181
Remote Similarity 0.6886 NPC62735
Remote Similarity 0.6875 NPC470023
Remote Similarity 0.6867 NPC471316
Remote Similarity 0.6867 NPC163029
Remote Similarity 0.686 NPC281398
Remote Similarity 0.6855 NPC107846
Remote Similarity 0.6848 NPC1249
Remote Similarity 0.6848 NPC274876
Remote Similarity 0.6842 NPC308006
Remote Similarity 0.6839 NPC470021
Remote Similarity 0.6839 NPC206007
Remote Similarity 0.6832 NPC428300
Remote Similarity 0.6828 NPC99723
Remote Similarity 0.6826 NPC186647
Remote Similarity 0.6826 NPC160747
Remote Similarity 0.6821 NPC252208
Remote Similarity 0.6818 NPC10429
Remote Similarity 0.6818 NPC44606
Remote Similarity 0.6818 NPC24232
Remote Similarity 0.6802 NPC478166
Remote Similarity 0.6795 NPC35744
Remote Similarity 0.6792 NPC141252
Remote Similarity 0.6792 NPC182646
Remote Similarity 0.6792 NPC11799
Remote Similarity 0.679 NPC59502
Remote Similarity 0.6789 NPC45389
Remote Similarity 0.6774 NPC288305
Remote Similarity 0.677 NPC177925
Remote Similarity 0.6768 NPC164295
Remote Similarity 0.6768 NPC301717
Remote Similarity 0.6768 NPC239134
Remote Similarity 0.6761 NPC149085
Remote Similarity 0.676 NPC212967
Remote Similarity 0.676 NPC164110
Remote Similarity 0.676 NPC96342
Remote Similarity 0.676 NPC246647
Remote Similarity 0.675 NPC100573
Remote Similarity 0.675 NPC56332
Remote Similarity 0.675 NPC207873
Remote Similarity 0.6747 NPC265793
Remote Similarity 0.6746 NPC470407
Remote Similarity 0.6743 NPC226578
Remote Similarity 0.6742 NPC93653
Remote Similarity 0.6731 NPC171023
Remote Similarity 0.6731 NPC32298
Remote Similarity 0.6726 NPC130976
Remote Similarity 0.6708 NPC470858
Remote Similarity 0.6705 NPC144010
Remote Similarity 0.6704 NPC180924
Remote Similarity 0.6703 NPC473196
Remote Similarity 0.67 NPC308943
Remote Similarity 0.67 NPC222561
Remote Similarity 0.6688 NPC54243
Remote Similarity 0.6686 NPC472840
Remote Similarity 0.6686 NPC472839
Remote Similarity 0.6685 NPC84721
Remote Similarity 0.6685 NPC235333
Remote Similarity 0.6685 NPC290927
Remote Similarity 0.6667 NPC123153
Remote Similarity 0.6667 NPC470019
Remote Similarity 0.6667 NPC64157
Remote Similarity 0.6667 NPC314329
Remote Similarity 0.6667 NPC474264
Remote Similarity 0.6667 NPC145830
Remote Similarity 0.6667 NPC258249
Remote Similarity 0.6667 NPC324488
Remote Similarity 0.6667 NPC307401
Remote Similarity 0.6667 NPC278832
Remote Similarity 0.6648 NPC213936
Remote Similarity 0.6648 NPC148938
Remote Similarity 0.6648 NPC472837
Remote Similarity 0.6648 NPC24761
Remote Similarity 0.6648 NPC297531
Remote Similarity 0.6647 NPC189650
Remote Similarity 0.6647 NPC476191
Remote Similarity 0.6647 NPC1268
Remote Similarity 0.6647 NPC245522
Remote Similarity 0.6647 NPC114513
Remote Similarity 0.6634 NPC55470
Remote Similarity 0.6633 NPC112937
Remote Similarity 0.663 NPC472299
Remote Similarity 0.6629 NPC478163
Remote Similarity 0.6628 NPC69755
Remote Similarity 0.6628 NPC27220
Remote Similarity 0.6626 NPC45537
Remote Similarity 0.6626 NPC298884
Remote Similarity 0.6607 NPC106606
Remote Similarity 0.6606 NPC278787
Remote Similarity 0.6605 NPC224657
Remote Similarity 0.6603 NPC316062
Remote Similarity 0.6598 NPC254957
Remote Similarity 0.6592 NPC179170
Remote Similarity 0.6591 NPC474107
Remote Similarity 0.6588 NPC202260
Remote Similarity 0.6587 NPC477536
Remote Similarity 0.6585 NPC125887
Remote Similarity 0.6584 NPC178382
Remote Similarity 0.6582 NPC201284
Remote Similarity 0.6575 NPC268360
Remote Similarity 0.6573 NPC23668
Remote Similarity 0.6573 NPC115324
Remote Similarity 0.6573 NPC193976
Remote Similarity 0.6571 NPC471346
Remote Similarity 0.6571 NPC473927
Remote Similarity 0.657 NPC149780
Remote Similarity 0.657 NPC124365
Remote Similarity 0.6568 NPC471670
Remote Similarity 0.6568 NPC141934
Remote Similarity 0.6568 NPC232996
Remote Similarity 0.6566 NPC141549
Remote Similarity 0.6566 NPC477412
Remote Similarity 0.6564 NPC237868
Remote Similarity 0.6564 NPC141059
Remote Similarity 0.6557 NPC269117
Remote Similarity 0.6556 NPC478161
Remote Similarity 0.6556 NPC478159
Remote Similarity 0.6554 NPC70764
Remote Similarity 0.6552 NPC469385
Remote Similarity 0.6552 NPC472836
Remote Similarity 0.6552 NPC225884
Remote Similarity 0.6552 NPC17262
Remote Similarity 0.6552 NPC471305
Remote Similarity 0.6545 NPC66246
Remote Similarity 0.6545 NPC170546
Remote Similarity 0.6545 NPC939
Remote Similarity 0.6543 NPC111088
Remote Similarity 0.6543 NPC75432
Remote Similarity 0.6541 NPC41689
Remote Similarity 0.6541 NPC232958
Remote Similarity 0.6538 NPC226287
Remote Similarity 0.6538 NPC153631
Remote Similarity 0.6536 NPC142308
Remote Similarity 0.6536 NPC207624
Remote Similarity 0.6536 NPC27615
Remote Similarity 0.6534 NPC123202
Remote Similarity 0.6534 NPC71055
Remote Similarity 0.6534 NPC22005
Remote Similarity 0.6534 NPC7943
Remote Similarity 0.6532 NPC254010
Remote Similarity 0.6529 NPC290601
Remote Similarity 0.6529 NPC477534
Remote Similarity 0.6529 NPC29638
Remote Similarity 0.6529 NPC471542
Remote Similarity 0.6527 NPC266425
Remote Similarity 0.6519 NPC221992
Remote Similarity 0.6517 NPC78335
Remote Similarity 0.6517 NPC230713
Remote Similarity 0.6517 NPC167576
Remote Similarity 0.6514 NPC155144
Remote Similarity 0.6514 NPC98926
Remote Similarity 0.6512 NPC262635
Remote Similarity 0.6512 NPC473499
Remote Similarity 0.6509 NPC22644
Remote Similarity 0.6506 NPC7569
Remote Similarity 0.6506 NPC183348
Remote Similarity 0.6506 NPC282230
Remote Similarity 0.6503 NPC471652
Remote Similarity 0.6503 NPC83301
Remote Similarity 0.6503 NPC232387
Remote Similarity 0.65 NPC23559
Remote Similarity 0.6497 NPC280025
Remote Similarity 0.6497 NPC5537

Drug Structure

External Identifiers

TTD   DCL000618
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   55489
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  217.07
ALogP  0.0548
MLogP  2.34
XLogP  3.943
HDA  0
HBD  0
Rotatable Bonds  2
TPSA  56.28
RO5 Violation  0