Drug Information

Drug ID:  NPD709
Drug Name:  Carbaril
Molecular Formula:  C12H11NO2
Canonical SMILES:  CN=C(Oc1cccc2c1cccc2)O
Standard InCHI:  InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
Standard InCHIKey:  CVXBEEMKQHEXEN-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD709

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 0.8455 NPC241224
Intermediate Similarity 0.8235 NPC63010
Intermediate Similarity 0.8205 NPC470837
Intermediate Similarity 0.8136 NPC283169
Intermediate Similarity 0.8108 NPC300166
Intermediate Similarity 0.8033 NPC100108
Intermediate Similarity 0.8033 NPC277798
Intermediate Similarity 0.8 NPC244816
Intermediate Similarity 0.8 NPC221549
Intermediate Similarity 0.8 NPC75440
Intermediate Similarity 0.8 NPC156313
Intermediate Similarity 0.8 NPC50521
Intermediate Similarity 0.7966 NPC35344
Intermediate Similarity 0.7966 NPC141003
Intermediate Similarity 0.7965 NPC474603
Intermediate Similarity 0.7965 NPC12987
Intermediate Similarity 0.7913 NPC233320
Intermediate Similarity 0.7903 NPC471314
Intermediate Similarity 0.7903 NPC471315
Intermediate Similarity 0.7886 NPC129176
Intermediate Similarity 0.7886 NPC102639
Intermediate Similarity 0.7876 NPC24327
Intermediate Similarity 0.7876 NPC168393
Intermediate Similarity 0.7876 NPC233827
Intermediate Similarity 0.7876 NPC12870
Intermediate Similarity 0.7863 NPC303521
Intermediate Similarity 0.7851 NPC25648
Intermediate Similarity 0.7833 NPC808
Intermediate Similarity 0.7833 NPC167934
Intermediate Similarity 0.7805 NPC103916
Intermediate Similarity 0.7797 NPC275627
Intermediate Similarity 0.7778 NPC138248
Intermediate Similarity 0.7778 NPC61685
Intermediate Similarity 0.7778 NPC228503
Intermediate Similarity 0.7769 NPC150624
Intermediate Similarity 0.7742 NPC212559
Intermediate Similarity 0.7727 NPC245187
Intermediate Similarity 0.7724 NPC43275
Intermediate Similarity 0.7717 NPC105718
Intermediate Similarity 0.7717 NPC278955
Intermediate Similarity 0.7705 NPC33270
Intermediate Similarity 0.7705 NPC195466
Intermediate Similarity 0.7705 NPC69261
Intermediate Similarity 0.7692 NPC146530
Intermediate Similarity 0.7692 NPC201959
Intermediate Similarity 0.7692 NPC241549
Intermediate Similarity 0.7686 NPC303370
Intermediate Similarity 0.7679 NPC32674
Intermediate Similarity 0.7679 NPC470161
Intermediate Similarity 0.7672 NPC67250
Intermediate Similarity 0.7672 NPC30416
Intermediate Similarity 0.7672 NPC113457
Intermediate Similarity 0.7661 NPC289330
Intermediate Similarity 0.7661 NPC160120
Intermediate Similarity 0.7661 NPC53596
Intermediate Similarity 0.7661 NPC17388
Intermediate Similarity 0.7661 NPC471308
Intermediate Similarity 0.7656 NPC301713
Intermediate Similarity 0.7656 NPC170485
Intermediate Similarity 0.7652 NPC238696
Intermediate Similarity 0.7647 NPC195873
Intermediate Similarity 0.7647 NPC470723
Intermediate Similarity 0.7647 NPC166837
Intermediate Similarity 0.7642 NPC190514
Intermediate Similarity 0.7642 NPC329980
Intermediate Similarity 0.7638 NPC111088
Intermediate Similarity 0.7634 NPC284232
Intermediate Similarity 0.7623 NPC312105
Intermediate Similarity 0.7623 NPC203113
Intermediate Similarity 0.7619 NPC152946
Intermediate Similarity 0.7612 NPC231163
Intermediate Similarity 0.7612 NPC318591
Intermediate Similarity 0.7611 NPC100870
Intermediate Similarity 0.7603 NPC276737
Intermediate Similarity 0.7603 NPC22610
Intermediate Similarity 0.7597 NPC191302
Intermediate Similarity 0.7597 NPC473221
Intermediate Similarity 0.7597 NPC53781
Intermediate Similarity 0.7597 NPC157740
Intermediate Similarity 0.7597 NPC99798
Intermediate Similarity 0.7586 NPC288760
Intermediate Similarity 0.7586 NPC227255
Intermediate Similarity 0.7583 NPC98372
Intermediate Similarity 0.7583 NPC474920
Intermediate Similarity 0.7583 NPC280760
Intermediate Similarity 0.7581 NPC184302
Intermediate Similarity 0.7578 NPC105031
Intermediate Similarity 0.7578 NPC113495
Intermediate Similarity 0.7563 NPC475852
Intermediate Similarity 0.7563 NPC2682
Intermediate Similarity 0.7563 NPC94045
Intermediate Similarity 0.7561 NPC323948
Intermediate Similarity 0.7559 NPC249788
Intermediate Similarity 0.7545 NPC321956
Intermediate Similarity 0.7542 NPC233835
Intermediate Similarity 0.7541 NPC53906
Intermediate Similarity 0.7541 NPC301321
Intermediate Similarity 0.7538 NPC38017
Intermediate Similarity 0.7538 NPC223912
Intermediate Similarity 0.7538 NPC147247
Intermediate Similarity 0.7538 NPC246974
Intermediate Similarity 0.7538 NPC215300
Intermediate Similarity 0.7538 NPC23012
Intermediate Similarity 0.7521 NPC165106
Intermediate Similarity 0.752 NPC321133
Intermediate Similarity 0.752 NPC263835
Intermediate Similarity 0.752 NPC344161
Intermediate Similarity 0.7519 NPC82299
Intermediate Similarity 0.7519 NPC138940
Intermediate Similarity 0.7519 NPC156944
Intermediate Similarity 0.75 NPC95716
Intermediate Similarity 0.75 NPC300955
Intermediate Similarity 0.75 NPC90520
Intermediate Similarity 0.75 NPC474040
Intermediate Similarity 0.75 NPC296920
Intermediate Similarity 0.75 NPC292792
Intermediate Similarity 0.7481 NPC92932
Intermediate Similarity 0.7481 NPC16577
Intermediate Similarity 0.748 NPC74137
Intermediate Similarity 0.748 NPC188997
Intermediate Similarity 0.748 NPC141090
Intermediate Similarity 0.748 NPC30462
Intermediate Similarity 0.748 NPC473464
Intermediate Similarity 0.748 NPC476332
Intermediate Similarity 0.7479 NPC202647
Intermediate Similarity 0.7479 NPC58865
Intermediate Similarity 0.7479 NPC474272
Intermediate Similarity 0.7478 NPC12221
Intermediate Similarity 0.7477 NPC271440
Intermediate Similarity 0.7463 NPC264956
Intermediate Similarity 0.7462 NPC41331
Intermediate Similarity 0.7462 NPC251571
Intermediate Similarity 0.7462 NPC100129
Intermediate Similarity 0.7462 NPC291449
Intermediate Similarity 0.746 NPC131868
Intermediate Similarity 0.746 NPC45663
Intermediate Similarity 0.7458 NPC35543
Intermediate Similarity 0.7458 NPC186469
Intermediate Similarity 0.7455 NPC71853
Intermediate Similarity 0.7444 NPC97316
Intermediate Similarity 0.7442 NPC152186
Intermediate Similarity 0.7442 NPC182147
Intermediate Similarity 0.7442 NPC71105
Intermediate Similarity 0.7442 NPC170583
Intermediate Similarity 0.7442 NPC207541
Intermediate Similarity 0.7442 NPC246133
Intermediate Similarity 0.7442 NPC76119
Intermediate Similarity 0.7442 NPC17348
Intermediate Similarity 0.7442 NPC4286
Intermediate Similarity 0.744 NPC38181
Intermediate Similarity 0.744 NPC256369
Intermediate Similarity 0.744 NPC20230
Intermediate Similarity 0.744 NPC51341
Intermediate Similarity 0.744 NPC310338
Intermediate Similarity 0.744 NPC471449
Intermediate Similarity 0.744 NPC281298
Intermediate Similarity 0.7438 NPC46940
Intermediate Similarity 0.7438 NPC280606
Intermediate Similarity 0.7436 NPC475269
Intermediate Similarity 0.7424 NPC315769
Intermediate Similarity 0.7424 NPC114102
Intermediate Similarity 0.7422 NPC248786
Intermediate Similarity 0.7422 NPC211218
Intermediate Similarity 0.7422 NPC261992
Intermediate Similarity 0.7419 NPC15860
Intermediate Similarity 0.7419 NPC127894
Intermediate Similarity 0.7419 NPC293619
Intermediate Similarity 0.7419 NPC470759
Intermediate Similarity 0.7419 NPC474933
Intermediate Similarity 0.7419 NPC219070
Intermediate Similarity 0.7417 NPC31279
Intermediate Similarity 0.7417 NPC137685
Intermediate Similarity 0.7405 NPC155838
Intermediate Similarity 0.7402 NPC48623
Intermediate Similarity 0.7402 NPC80241
Intermediate Similarity 0.7402 NPC301641
Intermediate Similarity 0.7402 NPC476633
Intermediate Similarity 0.7402 NPC168707
Intermediate Similarity 0.7402 NPC251259
Intermediate Similarity 0.7398 NPC473264
Intermediate Similarity 0.7398 NPC475815
Intermediate Similarity 0.7398 NPC464
Intermediate Similarity 0.7398 NPC47194
Intermediate Similarity 0.7398 NPC185541
Intermediate Similarity 0.7398 NPC473718
Intermediate Similarity 0.7395 NPC245115
Intermediate Similarity 0.7395 NPC169450
Intermediate Similarity 0.7385 NPC274356
Intermediate Similarity 0.7385 NPC223953
Intermediate Similarity 0.7385 NPC251466
Intermediate Similarity 0.7381 NPC165133
Intermediate Similarity 0.7381 NPC242885
Intermediate Similarity 0.7381 NPC95614
Intermediate Similarity 0.7381 NPC117780
Intermediate Similarity 0.7381 NPC232316
Intermediate Similarity 0.7381 NPC56214
Intermediate Similarity 0.7381 NPC227217
Intermediate Similarity 0.7381 NPC41801
Intermediate Similarity 0.7373 NPC54765
Intermediate Similarity 0.7373 NPC326801

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  201.08
ALogP  0.2352
MLogP  2.45
XLogP  4.673
HDA  2
HBD  1
Rotatable Bonds  4
TPSA  41.82
RO5 Violation  0