Drug Information

Drug ID:  NPD9712
Drug Name:  Iodohippurate
Molecular Formula:  C9H8INO3
Canonical SMILES:  OC(=O)CN=C(c1ccccc1I)O
Standard InCHI:  InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
Standard InCHIKey:  CORFWQGVBFFZHF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9712

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 0.9674 NPC3371
High Similarity 0.9175 NPC318154
High Similarity 0.8737 NPC265521
High Similarity 0.8723 NPC258627
High Similarity 0.8602 NPC198747
High Similarity 0.8511 NPC325441
Intermediate Similarity 0.8396 NPC163674
Intermediate Similarity 0.8396 NPC227553
Intermediate Similarity 0.82 NPC33168
Intermediate Similarity 0.7979 NPC146703
Intermediate Similarity 0.783 NPC211551
Intermediate Similarity 0.7524 NPC12730
Intermediate Similarity 0.7455 NPC153690
Intermediate Similarity 0.7426 NPC172128
Intermediate Similarity 0.7417 NPC4974
Intermediate Similarity 0.735 NPC319950
Intermediate Similarity 0.7315 NPC164859
Intermediate Similarity 0.7295 NPC210950
Intermediate Similarity 0.7295 NPC199738
Intermediate Similarity 0.7292 NPC192623
Intermediate Similarity 0.7288 NPC476183
Intermediate Similarity 0.7273 NPC3210
Intermediate Similarity 0.7273 NPC327481
Intermediate Similarity 0.7227 NPC476184
Intermediate Similarity 0.7227 NPC476281
Intermediate Similarity 0.7203 NPC239697
Intermediate Similarity 0.7184 NPC226438
Intermediate Similarity 0.7167 NPC27581
Intermediate Similarity 0.7167 NPC474862
Intermediate Similarity 0.7158 NPC66655
Intermediate Similarity 0.7156 NPC178902
Intermediate Similarity 0.7143 NPC20142
Intermediate Similarity 0.7143 NPC215351
Intermediate Similarity 0.7143 NPC14326
Intermediate Similarity 0.7143 NPC190663
Intermediate Similarity 0.7119 NPC317784
Intermediate Similarity 0.7119 NPC142638
Intermediate Similarity 0.7117 NPC191215
Intermediate Similarity 0.7117 NPC231705
Intermediate Similarity 0.7117 NPC274089
Intermediate Similarity 0.7115 NPC323164
Intermediate Similarity 0.7107 NPC476278
Intermediate Similarity 0.7103 NPC315921
Intermediate Similarity 0.7103 NPC107619
Intermediate Similarity 0.71 NPC58616
Intermediate Similarity 0.7087 NPC62765
Intermediate Similarity 0.7083 NPC56634
Intermediate Similarity 0.708 NPC258056
Intermediate Similarity 0.7075 NPC246679
Intermediate Similarity 0.7071 NPC285773
Intermediate Similarity 0.7054 NPC142297
Intermediate Similarity 0.7049 NPC476260
Intermediate Similarity 0.7049 NPC476241
Intermediate Similarity 0.7041 NPC117180
Intermediate Similarity 0.7041 NPC133050
Intermediate Similarity 0.7025 NPC160493
Intermediate Similarity 0.7025 NPC142577
Intermediate Similarity 0.7018 NPC474149
Intermediate Similarity 0.7018 NPC319579
Intermediate Similarity 0.7009 NPC293628
Intermediate Similarity 0.7009 NPC253423
Intermediate Similarity 0.7009 NPC10781
Intermediate Similarity 0.7009 NPC122493
Intermediate Similarity 0.7009 NPC324569
Remote Similarity 0.6992 NPC476179
Remote Similarity 0.6992 NPC476125
Remote Similarity 0.6991 NPC96224
Remote Similarity 0.6991 NPC24101
Remote Similarity 0.699 NPC470877
Remote Similarity 0.6989 NPC155429
Remote Similarity 0.6983 NPC309808
Remote Similarity 0.6981 NPC58674
Remote Similarity 0.6981 NPC303045
Remote Similarity 0.6981 NPC32977
Remote Similarity 0.6981 NPC81010
Remote Similarity 0.6981 NPC161972
Remote Similarity 0.6975 NPC5932
Remote Similarity 0.6972 NPC214200
Remote Similarity 0.6972 NPC328793
Remote Similarity 0.6972 NPC228400
Remote Similarity 0.697 NPC99394
Remote Similarity 0.697 NPC329319
Remote Similarity 0.697 NPC87299
Remote Similarity 0.697 NPC103326
Remote Similarity 0.6961 NPC211237
Remote Similarity 0.6961 NPC471638
Remote Similarity 0.6961 NPC89377
Remote Similarity 0.696 NPC296712
Remote Similarity 0.6957 NPC329011
Remote Similarity 0.6949 NPC106551
Remote Similarity 0.6949 NPC188867
Remote Similarity 0.6949 NPC281686
Remote Similarity 0.6947 NPC206800
Remote Similarity 0.6947 NPC32203
Remote Similarity 0.6944 NPC164514
Remote Similarity 0.6944 NPC160548
Remote Similarity 0.6944 NPC210529
Remote Similarity 0.6944 NPC229242
Remote Similarity 0.6944 NPC226096
Remote Similarity 0.6944 NPC303611
Remote Similarity 0.6944 NPC290515
Remote Similarity 0.6944 NPC175852
Remote Similarity 0.6944 NPC108606
Remote Similarity 0.6939 NPC127343
Remote Similarity 0.6923 NPC118202
Remote Similarity 0.6923 NPC471307
Remote Similarity 0.6923 NPC78041
Remote Similarity 0.6923 NPC159178
Remote Similarity 0.6923 NPC209764
Remote Similarity 0.6923 NPC74936
Remote Similarity 0.6923 NPC141139
Remote Similarity 0.6923 NPC316108
Remote Similarity 0.6923 NPC121872
Remote Similarity 0.6916 NPC257182
Remote Similarity 0.6916 NPC61944
Remote Similarity 0.6916 NPC25565
Remote Similarity 0.6909 NPC327226
Remote Similarity 0.6905 NPC478147
Remote Similarity 0.6905 NPC325651
Remote Similarity 0.69 NPC172984
Remote Similarity 0.6897 NPC474584
Remote Similarity 0.6897 NPC273814
Remote Similarity 0.6893 NPC304760
Remote Similarity 0.6881 NPC217621
Remote Similarity 0.6881 NPC245561
Remote Similarity 0.6864 NPC317254
Remote Similarity 0.6863 NPC203076
Remote Similarity 0.6863 NPC474211
Remote Similarity 0.686 NPC112823
Remote Similarity 0.686 NPC80150
Remote Similarity 0.6852 NPC475439
Remote Similarity 0.6852 NPC311242
Remote Similarity 0.6852 NPC473501
Remote Similarity 0.6837 NPC170484
Remote Similarity 0.6832 NPC304538
Remote Similarity 0.6832 NPC44546
Remote Similarity 0.6832 NPC168855
Remote Similarity 0.6827 NPC220893
Remote Similarity 0.6827 NPC173443
Remote Similarity 0.6818 NPC52472
Remote Similarity 0.6818 NPC469481
Remote Similarity 0.6807 NPC82963
Remote Similarity 0.6803 NPC86966
Remote Similarity 0.6803 NPC324702
Remote Similarity 0.6797 NPC326966
Remote Similarity 0.6797 NPC45191
Remote Similarity 0.6796 NPC322387
Remote Similarity 0.6796 NPC473031
Remote Similarity 0.6786 NPC150254
Remote Similarity 0.6786 NPC304761
Remote Similarity 0.6786 NPC226778
Remote Similarity 0.6786 NPC147000
Remote Similarity 0.6783 NPC316052
Remote Similarity 0.6777 NPC43275
Remote Similarity 0.6768 NPC328178
Remote Similarity 0.6768 NPC121800
Remote Similarity 0.6765 NPC474354
Remote Similarity 0.6757 NPC25458
Remote Similarity 0.6757 NPC284477
Remote Similarity 0.6757 NPC304873
Remote Similarity 0.675 NPC311737
Remote Similarity 0.675 NPC38458
Remote Similarity 0.6746 NPC476353
Remote Similarity 0.6744 NPC244866
Remote Similarity 0.6735 NPC50192
Remote Similarity 0.6733 NPC44830
Remote Similarity 0.6731 NPC329064
Remote Similarity 0.6731 NPC262393
Remote Similarity 0.6729 NPC471309
Remote Similarity 0.6727 NPC171843
Remote Similarity 0.6727 NPC228435
Remote Similarity 0.6726 NPC67043
Remote Similarity 0.6724 NPC323007
Remote Similarity 0.6723 NPC197470
Remote Similarity 0.6699 NPC318107
Remote Similarity 0.6699 NPC93843
Remote Similarity 0.6698 NPC119631
Remote Similarity 0.6698 NPC245259
Remote Similarity 0.6696 NPC82426
Remote Similarity 0.6696 NPC160382
Remote Similarity 0.6696 NPC255676
Remote Similarity 0.6696 NPC114741
Remote Similarity 0.6696 NPC182549
Remote Similarity 0.6696 NPC470202
Remote Similarity 0.6696 NPC13426
Remote Similarity 0.6696 NPC91820
Remote Similarity 0.6696 NPC471317
Remote Similarity 0.6695 NPC1986
Remote Similarity 0.6695 NPC474544
Remote Similarity 0.6667 NPC469457
Remote Similarity 0.6667 NPC273830
Remote Similarity 0.6667 NPC253746
Remote Similarity 0.6667 NPC282895
Remote Similarity 0.6667 NPC1793
Remote Similarity 0.6667 NPC166837
Remote Similarity 0.6667 NPC284078
Remote Similarity 0.6667 NPC266741
Remote Similarity 0.6667 NPC289381
Remote Similarity 0.6667 NPC2265
Remote Similarity 0.6667 NPC155847

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  304.95
ALogP  0.8969
MLogP  1.9
XLogP  2.122
HDA  4
HBD  2
Rotatable Bonds  6
TPSA  69.89
RO5 Violation  0