Drug Information

Drug ID:  NPD9690
Drug Name:  Diiodohydroxyquinoline
Molecular Formula:  C9H5I2NO
Canonical SMILES:  Ic1cc(I)c2c(c1O)nccc2
Standard InCHI:  InChI=1S/C9H5I2NO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
Standard InCHIKey:  UXZFQZANDVDGMM-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD; DrugBank

  Structural Similarity Between NPASS Natural Products and NPD9690

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 0.9682 NPC473764
High Similarity 0.9682 NPC314940
High Similarity 0.9255 NPC252590
Intermediate Similarity 0.8492 NPC192315
Intermediate Similarity 0.8444 NPC476167
Intermediate Similarity 0.8172 NPC477113
Intermediate Similarity 0.8161 NPC478032
Intermediate Similarity 0.815 NPC184964
Intermediate Similarity 0.8085 NPC477111
Intermediate Similarity 0.8063 NPC60553
Intermediate Similarity 0.8047 NPC118511
Intermediate Similarity 0.8012 NPC44161
Intermediate Similarity 0.7966 NPC220765
Intermediate Similarity 0.7921 NPC204717
Intermediate Similarity 0.7898 NPC42979
Intermediate Similarity 0.7886 NPC224764
Intermediate Similarity 0.7877 NPC42591
Intermediate Similarity 0.7877 NPC314002
Intermediate Similarity 0.7866 NPC220523
Intermediate Similarity 0.7833 NPC171171
Intermediate Similarity 0.7802 NPC144381
Intermediate Similarity 0.7801 NPC18348
Intermediate Similarity 0.7795 NPC477110
Intermediate Similarity 0.7784 NPC203754
Intermediate Similarity 0.7784 NPC150048
Intermediate Similarity 0.7778 NPC59779
Intermediate Similarity 0.7778 NPC475774
Intermediate Similarity 0.7778 NPC471177
Intermediate Similarity 0.7778 NPC124542
Intermediate Similarity 0.7742 NPC90229
Intermediate Similarity 0.774 NPC96890
Intermediate Similarity 0.7725 NPC470678
Intermediate Similarity 0.7722 NPC174421
Intermediate Similarity 0.7717 NPC99666
Intermediate Similarity 0.7692 NPC63562
Intermediate Similarity 0.7688 NPC471178
Intermediate Similarity 0.7684 NPC245816
Intermediate Similarity 0.7684 NPC476138
Intermediate Similarity 0.7676 NPC329541
Intermediate Similarity 0.7676 NPC230403
Intermediate Similarity 0.763 NPC97367
Intermediate Similarity 0.7622 NPC324149
Intermediate Similarity 0.7616 NPC25899
Intermediate Similarity 0.7614 NPC8022
Intermediate Similarity 0.7614 NPC470799
Intermediate Similarity 0.7602 NPC269919
Intermediate Similarity 0.7602 NPC132680
Intermediate Similarity 0.7596 NPC46580
Intermediate Similarity 0.7572 NPC48192
Intermediate Similarity 0.7569 NPC48938
Intermediate Similarity 0.7553 NPC77555
Intermediate Similarity 0.7552 NPC118832
Intermediate Similarity 0.7552 NPC165349
Intermediate Similarity 0.7552 NPC47059
Intermediate Similarity 0.7552 NPC274291
Intermediate Similarity 0.7552 NPC264166
Intermediate Similarity 0.7552 NPC470500
Intermediate Similarity 0.7552 NPC329708
Intermediate Similarity 0.754 NPC326634
Intermediate Similarity 0.7539 NPC211813
Intermediate Similarity 0.7538 NPC5145
Intermediate Similarity 0.7529 NPC473057
Intermediate Similarity 0.7514 NPC322976
Intermediate Similarity 0.7514 NPC3715
Intermediate Similarity 0.7514 NPC131718
Intermediate Similarity 0.7514 NPC324203
Intermediate Similarity 0.7514 NPC63338
Intermediate Similarity 0.75 NPC222018
Intermediate Similarity 0.7461 NPC475070
Intermediate Similarity 0.746 NPC267928
Intermediate Similarity 0.746 NPC156704
Intermediate Similarity 0.7459 NPC230805
Intermediate Similarity 0.7458 NPC164664
Intermediate Similarity 0.7455 NPC318935
Intermediate Similarity 0.7451 NPC103687
Intermediate Similarity 0.7451 NPC132631
Intermediate Similarity 0.745 NPC173080
Intermediate Similarity 0.7446 NPC314573
Intermediate Similarity 0.7437 NPC142901
Intermediate Similarity 0.7436 NPC46358
Intermediate Similarity 0.7435 NPC315491
Intermediate Similarity 0.7435 NPC45459
Intermediate Similarity 0.7429 NPC263439
Intermediate Similarity 0.7429 NPC211187
Intermediate Similarity 0.7429 NPC102423
Intermediate Similarity 0.7391 NPC256893
Intermediate Similarity 0.7371 NPC177404
Intermediate Similarity 0.7366 NPC32771
Intermediate Similarity 0.7365 NPC470404
Intermediate Similarity 0.7365 NPC470394
Intermediate Similarity 0.7365 NPC470403
Intermediate Similarity 0.7344 NPC19872
Intermediate Similarity 0.7344 NPC213308
Intermediate Similarity 0.7337 NPC476287
Intermediate Similarity 0.7333 NPC476124
Intermediate Similarity 0.7333 NPC476121
Intermediate Similarity 0.7326 NPC26872
Intermediate Similarity 0.732 NPC53144
Intermediate Similarity 0.7316 NPC251090
Intermediate Similarity 0.7316 NPC242209
Intermediate Similarity 0.731 NPC185782
Intermediate Similarity 0.7308 NPC476451
Intermediate Similarity 0.7308 NPC477112
Intermediate Similarity 0.7302 NPC307963
Intermediate Similarity 0.7296 NPC193238
Intermediate Similarity 0.7278 NPC470395
Intermediate Similarity 0.7273 NPC309845
Intermediate Similarity 0.7273 NPC296527
Intermediate Similarity 0.7267 NPC153769
Intermediate Similarity 0.7263 NPC256828
Intermediate Similarity 0.7247 NPC41717
Intermediate Similarity 0.7247 NPC108469
Intermediate Similarity 0.7241 NPC141353
Intermediate Similarity 0.724 NPC212213
Intermediate Similarity 0.7234 NPC76748
Intermediate Similarity 0.7233 NPC151489
Intermediate Similarity 0.7231 NPC200836
Intermediate Similarity 0.7228 NPC266551
Intermediate Similarity 0.7228 NPC161887
Intermediate Similarity 0.7228 NPC219963
Intermediate Similarity 0.7222 NPC158129
Intermediate Similarity 0.7216 NPC120798
Intermediate Similarity 0.7216 NPC322644
Intermediate Similarity 0.7213 NPC88363
Intermediate Similarity 0.7213 NPC72980
Intermediate Similarity 0.7212 NPC328029
Intermediate Similarity 0.72 NPC26850
Intermediate Similarity 0.72 NPC26679
Intermediate Similarity 0.7198 NPC288943
Intermediate Similarity 0.7196 NPC92111
Intermediate Similarity 0.7194 NPC472259
Intermediate Similarity 0.7193 NPC257142
Intermediate Similarity 0.7188 NPC224928
Intermediate Similarity 0.7182 NPC313791
Intermediate Similarity 0.7181 NPC472289
Intermediate Similarity 0.7178 NPC476161
Intermediate Similarity 0.7175 NPC79911
Intermediate Similarity 0.7165 NPC315957
Intermediate Similarity 0.7165 NPC234197
Intermediate Similarity 0.7165 NPC176538
Intermediate Similarity 0.7158 NPC283152
Intermediate Similarity 0.7151 NPC284678
Intermediate Similarity 0.7151 NPC207851
Intermediate Similarity 0.7135 NPC161292
Intermediate Similarity 0.7128 NPC66083
Intermediate Similarity 0.7127 NPC253810
Intermediate Similarity 0.7121 NPC88008
Intermediate Similarity 0.7119 NPC279918
Intermediate Similarity 0.7113 NPC128823
Intermediate Similarity 0.7102 NPC129721
Intermediate Similarity 0.71 NPC85273
Intermediate Similarity 0.709 NPC242928
Intermediate Similarity 0.7088 NPC474409
Intermediate Similarity 0.7085 NPC287208
Intermediate Similarity 0.7085 NPC476157
Intermediate Similarity 0.7085 NPC171787
Intermediate Similarity 0.7083 NPC146724
Intermediate Similarity 0.7079 NPC282231
Intermediate Similarity 0.7079 NPC224632
Intermediate Similarity 0.7079 NPC162530
Intermediate Similarity 0.7076 NPC159856
Intermediate Similarity 0.7073 NPC324611
Intermediate Similarity 0.7073 NPC292958
Intermediate Similarity 0.7069 NPC284348
Intermediate Similarity 0.7068 NPC133140
Intermediate Similarity 0.7068 NPC195268
Intermediate Similarity 0.7062 NPC239954
Intermediate Similarity 0.7062 NPC230869
Intermediate Similarity 0.7059 NPC156059
Intermediate Similarity 0.7059 NPC304926
Intermediate Similarity 0.7059 NPC476041
Intermediate Similarity 0.7059 NPC469727
Intermediate Similarity 0.7056 NPC476098
Intermediate Similarity 0.7049 NPC312872
Intermediate Similarity 0.7049 NPC303225
Intermediate Similarity 0.7045 NPC477889
Intermediate Similarity 0.7043 NPC474798
Intermediate Similarity 0.7037 NPC306397
Intermediate Similarity 0.7037 NPC165370
Intermediate Similarity 0.7037 NPC212125
Intermediate Similarity 0.7035 NPC283117
Intermediate Similarity 0.7031 NPC226202
Intermediate Similarity 0.7031 NPC198673
Intermediate Similarity 0.703 NPC202605
Intermediate Similarity 0.703 NPC112206
Intermediate Similarity 0.7029 NPC469763
Intermediate Similarity 0.7029 NPC73952
Intermediate Similarity 0.7029 NPC469760
Intermediate Similarity 0.7029 NPC469786
Intermediate Similarity 0.7029 NPC259644
Intermediate Similarity 0.7029 NPC469765
Intermediate Similarity 0.7029 NPC25008
Intermediate Similarity 0.7027 NPC149402
Intermediate Similarity 0.7026 NPC287437
Intermediate Similarity 0.7021 NPC20249
Intermediate Similarity 0.7021 NPC295158
Intermediate Similarity 0.7019 NPC167908
Intermediate Similarity 0.7017 NPC278874
Intermediate Similarity 0.7011 NPC134586
Intermediate Similarity 0.701 NPC288349

Drug Structure

External Identifiers

TTD   DIB010386
DrugBank   DB09115
ChEMBL   CHEMBL86754
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D00581
PubChem CID  
ChEBI   5950
CAS Number  83-73-8

Drug Properties

Molecular Weight  396.85
ALogP  2.3799
MLogP  2.01
XLogP  3.122
HDA  1
HBD  1
Rotatable Bonds  3
TPSA  33.12
RO5 Violation  0