Drug Information

Drug ID:  NPD9710
Drug Name:  Iodohippurate Sodium I 131
Molecular Formula:  C9H8INO3.Na
Canonical SMILES:  [O-]C(=O)CN=C(c1ccccc1[131I])O.[Na+]
Standard InCHI:  InChI=1S/C9H8INO3.Na/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13;/h1-4H,5H2,(H,11,14)(H,12,13);/q;+1/p-1/i10+4;
Standard InCHIKey:  XYITYKDGJLHYPW-UDYUCQKZSA-M
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9710

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 0.9565 NPC3371
High Similarity 0.9072 NPC318154
High Similarity 0.8632 NPC265521
High Similarity 0.8617 NPC258627
Intermediate Similarity 0.8495 NPC198747
Intermediate Similarity 0.8404 NPC325441
Intermediate Similarity 0.8302 NPC227553
Intermediate Similarity 0.8302 NPC163674
Intermediate Similarity 0.81 NPC33168
Intermediate Similarity 0.8065 NPC146703
Intermediate Similarity 0.7736 NPC211551
Intermediate Similarity 0.7429 NPC12730
Intermediate Similarity 0.7364 NPC153690
Intermediate Similarity 0.7333 NPC4974
Intermediate Similarity 0.7327 NPC172128
Intermediate Similarity 0.7265 NPC319950
Intermediate Similarity 0.7222 NPC164859
Intermediate Similarity 0.7213 NPC199738
Intermediate Similarity 0.7213 NPC210950
Intermediate Similarity 0.7203 NPC476183
Intermediate Similarity 0.7188 NPC192623
Intermediate Similarity 0.7182 NPC327481
Intermediate Similarity 0.7172 NPC3210
Intermediate Similarity 0.717 NPC315921
Intermediate Similarity 0.7157 NPC62765
Intermediate Similarity 0.7143 NPC476184
Intermediate Similarity 0.7143 NPC476281
Intermediate Similarity 0.7119 NPC239697
Intermediate Similarity 0.7087 NPC226438
Intermediate Similarity 0.7083 NPC474862
Intermediate Similarity 0.7083 NPC27581
Intermediate Similarity 0.7064 NPC178902
Intermediate Similarity 0.7059 NPC190663
Intermediate Similarity 0.7053 NPC66655
Intermediate Similarity 0.7048 NPC215351
Intermediate Similarity 0.7048 NPC20142
Intermediate Similarity 0.7041 NPC14326
Intermediate Similarity 0.7037 NPC328793
Intermediate Similarity 0.7034 NPC317784
Intermediate Similarity 0.7034 NPC142638
Intermediate Similarity 0.703 NPC211237
Intermediate Similarity 0.7027 NPC274089
Intermediate Similarity 0.7027 NPC191215
Intermediate Similarity 0.7027 NPC231705
Intermediate Similarity 0.7025 NPC476278
Intermediate Similarity 0.7019 NPC323164
Intermediate Similarity 0.7009 NPC107619
Intermediate Similarity 0.7 NPC58616
Intermediate Similarity 0.7 NPC56634
Remote Similarity 0.6991 NPC258056
Remote Similarity 0.6981 NPC246679
Remote Similarity 0.6981 NPC61944
Remote Similarity 0.697 NPC285773
Remote Similarity 0.6967 NPC476260
Remote Similarity 0.6967 NPC476241
Remote Similarity 0.6964 NPC142297
Remote Similarity 0.6942 NPC142577
Remote Similarity 0.6942 NPC160493
Remote Similarity 0.6939 NPC133050
Remote Similarity 0.6939 NPC117180
Remote Similarity 0.693 NPC319579
Remote Similarity 0.693 NPC474149
Remote Similarity 0.6916 NPC253423
Remote Similarity 0.6916 NPC122493
Remote Similarity 0.6916 NPC10781
Remote Similarity 0.6916 NPC324569
Remote Similarity 0.6916 NPC293628
Remote Similarity 0.6911 NPC476179
Remote Similarity 0.6911 NPC476125
Remote Similarity 0.6903 NPC96224
Remote Similarity 0.6903 NPC24101
Remote Similarity 0.6897 NPC309808
Remote Similarity 0.6893 NPC470877
Remote Similarity 0.6891 NPC5932
Remote Similarity 0.6887 NPC58674
Remote Similarity 0.6887 NPC303045
Remote Similarity 0.6887 NPC32977
Remote Similarity 0.6887 NPC81010
Remote Similarity 0.6887 NPC161972
Remote Similarity 0.6882 NPC155429
Remote Similarity 0.6881 NPC228400
Remote Similarity 0.6881 NPC214200
Remote Similarity 0.688 NPC296712
Remote Similarity 0.687 NPC329011
Remote Similarity 0.6869 NPC87299
Remote Similarity 0.6869 NPC103326
Remote Similarity 0.6869 NPC329319
Remote Similarity 0.6869 NPC99394
Remote Similarity 0.6864 NPC106551
Remote Similarity 0.6864 NPC188867
Remote Similarity 0.6864 NPC281686
Remote Similarity 0.6863 NPC89377
Remote Similarity 0.6863 NPC471638
Remote Similarity 0.6852 NPC290515
Remote Similarity 0.6852 NPC226096
Remote Similarity 0.6852 NPC229242
Remote Similarity 0.6852 NPC160548
Remote Similarity 0.6852 NPC210529
Remote Similarity 0.6852 NPC175852
Remote Similarity 0.6852 NPC164514
Remote Similarity 0.6852 NPC108606
Remote Similarity 0.6852 NPC303611
Remote Similarity 0.6842 NPC206800
Remote Similarity 0.6842 NPC32203
Remote Similarity 0.6838 NPC118202
Remote Similarity 0.6837 NPC127343
Remote Similarity 0.6827 NPC209764
Remote Similarity 0.6827 NPC159178
Remote Similarity 0.6827 NPC316108
Remote Similarity 0.6827 NPC78041
Remote Similarity 0.6827 NPC141139
Remote Similarity 0.6827 NPC121872
Remote Similarity 0.6827 NPC74936
Remote Similarity 0.6827 NPC471307
Remote Similarity 0.6825 NPC478147
Remote Similarity 0.6825 NPC325651
Remote Similarity 0.6822 NPC25565
Remote Similarity 0.6822 NPC257182
Remote Similarity 0.6818 NPC327226
Remote Similarity 0.681 NPC273814
Remote Similarity 0.681 NPC474584
Remote Similarity 0.68 NPC172984
Remote Similarity 0.6796 NPC304760
Remote Similarity 0.6789 NPC228435
Remote Similarity 0.6789 NPC245561
Remote Similarity 0.6789 NPC217621
Remote Similarity 0.678 NPC317254
Remote Similarity 0.6777 NPC80150
Remote Similarity 0.6777 NPC112823
Remote Similarity 0.6765 NPC474211
Remote Similarity 0.6765 NPC203076
Remote Similarity 0.6765 NPC318107
Remote Similarity 0.6759 NPC475439
Remote Similarity 0.6759 NPC473501
Remote Similarity 0.6759 NPC311242
Remote Similarity 0.6735 NPC170484
Remote Similarity 0.6733 NPC44546
Remote Similarity 0.6733 NPC304538
Remote Similarity 0.6733 NPC168855
Remote Similarity 0.6731 NPC220893
Remote Similarity 0.6731 NPC173443
Remote Similarity 0.6727 NPC282895
Remote Similarity 0.6727 NPC469481
Remote Similarity 0.6727 NPC52472
Remote Similarity 0.6723 NPC82963
Remote Similarity 0.6721 NPC324702
Remote Similarity 0.6721 NPC86966
Remote Similarity 0.6719 NPC326966
Remote Similarity 0.6719 NPC45191
Remote Similarity 0.6699 NPC322387
Remote Similarity 0.6699 NPC473031
Remote Similarity 0.6696 NPC226778
Remote Similarity 0.6696 NPC147000
Remote Similarity 0.6696 NPC150254
Remote Similarity 0.6696 NPC304761
Remote Similarity 0.6696 NPC316052
Remote Similarity 0.6694 NPC43275
Remote Similarity 0.6667 NPC474354
Remote Similarity 0.6667 NPC121800
Remote Similarity 0.6667 NPC311737
Remote Similarity 0.6667 NPC284477
Remote Similarity 0.6667 NPC38458
Remote Similarity 0.6667 NPC328178
Remote Similarity 0.6667 NPC304873
Remote Similarity 0.6667 NPC25458
Remote Similarity 0.6667 NPC476353
Remote Similarity 0.6667 NPC244866
Remote Similarity 0.6639 NPC197470
Remote Similarity 0.6638 NPC323007
Remote Similarity 0.6637 NPC67043
Remote Similarity 0.6636 NPC471309
Remote Similarity 0.6636 NPC171843
Remote Similarity 0.6635 NPC262393
Remote Similarity 0.6635 NPC329064
Remote Similarity 0.6634 NPC44830
Remote Similarity 0.6633 NPC50192
Remote Similarity 0.661 NPC474544
Remote Similarity 0.661 NPC1986
Remote Similarity 0.6609 NPC182549
Remote Similarity 0.6609 NPC114741
Remote Similarity 0.6607 NPC82426
Remote Similarity 0.6607 NPC471317
Remote Similarity 0.6607 NPC13426
Remote Similarity 0.6607 NPC470202
Remote Similarity 0.6607 NPC91820
Remote Similarity 0.6607 NPC255676
Remote Similarity 0.6607 NPC160382
Remote Similarity 0.6604 NPC119631
Remote Similarity 0.6604 NPC245259
Remote Similarity 0.6602 NPC93843
Remote Similarity 0.6593 NPC266741
Remote Similarity 0.6585 NPC273830
Remote Similarity 0.6585 NPC284078
Remote Similarity 0.6583 NPC2265
Remote Similarity 0.6581 NPC166837
Remote Similarity 0.6577 NPC289381
Remote Similarity 0.6577 NPC155847
Remote Similarity 0.6577 NPC469457
Remote Similarity 0.6577 NPC253746
Remote Similarity 0.6571 NPC1793

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  303.95
ALogP  0.2191
MLogP  1.9
XLogP  1.641
HDA  4
HBD  1
Rotatable Bonds  6
TPSA  72.72
RO5 Violation  0