Drug Information

Drug ID:  NPD1548
Drug Name:  Idronoxil
Molecular Formula:  C15H12O3
Canonical SMILES:  Oc1ccc(cc1)C1=Cc2c(OC1)cc(cc2)O
Standard InCHI:  InChI=1S/C15H12O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-8,16-17H,9H2
Standard InCHIKey:  ZZUBHVMHNVYXRR-UHFFFAOYSA-N
Max Developmental Stage:  Phase 1
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD1548

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 1.0 NPC74821
High Similarity 0.991 NPC295259
High Similarity 0.9646 NPC258979
High Similarity 0.9646 NPC8283
High Similarity 0.9646 NPC93398
High Similarity 0.9478 NPC54972
High Similarity 0.9478 NPC193364
High Similarity 0.9397 NPC100099
High Similarity 0.9397 NPC36016
High Similarity 0.9316 NPC76465
High Similarity 0.9316 NPC38761
High Similarity 0.9237 NPC197351
High Similarity 0.9237 NPC134195
High Similarity 0.9237 NPC86502
High Similarity 0.9237 NPC106914
High Similarity 0.9237 NPC246648
High Similarity 0.9204 NPC185541
High Similarity 0.9204 NPC464
High Similarity 0.9167 NPC149796
High Similarity 0.916 NPC167571
High Similarity 0.916 NPC188022
High Similarity 0.916 NPC17809
High Similarity 0.916 NPC285040
High Similarity 0.916 NPC278552
High Similarity 0.916 NPC102540
High Similarity 0.916 NPC103420
High Similarity 0.916 NPC207179
High Similarity 0.9145 NPC97432
High Similarity 0.9145 NPC190454
High Similarity 0.9123 NPC85292
High Similarity 0.9123 NPC54507
High Similarity 0.9123 NPC229147
High Similarity 0.9083 NPC26879
High Similarity 0.9083 NPC283049
High Similarity 0.9083 NPC276212
High Similarity 0.9083 NPC471215
High Similarity 0.9083 NPC262573
High Similarity 0.9083 NPC230479
High Similarity 0.9083 NPC50315
High Similarity 0.9076 NPC270030
High Similarity 0.9016 NPC134360
High Similarity 0.9 NPC168259
High Similarity 0.8966 NPC131118
High Similarity 0.8957 NPC203113
High Similarity 0.8943 NPC91291
High Similarity 0.8934 NPC47283
High Similarity 0.8934 NPC87224
High Similarity 0.8934 NPC38664
High Similarity 0.8934 NPC222572
High Similarity 0.8934 NPC39064
High Similarity 0.8934 NPC274717
High Similarity 0.8934 NPC53986
High Similarity 0.8929 NPC106141
High Similarity 0.8917 NPC159132
High Similarity 0.8889 NPC172253
High Similarity 0.8889 NPC59561
High Similarity 0.8871 NPC164804
High Similarity 0.8871 NPC293203
High Similarity 0.8871 NPC118683
High Similarity 0.8871 NPC211413
High Similarity 0.8871 NPC244888
High Similarity 0.8871 NPC68205
High Similarity 0.8862 NPC93962
High Similarity 0.8852 NPC46978
High Similarity 0.8824 NPC52247
High Similarity 0.8793 NPC141090
High Similarity 0.8793 NPC150624
High Similarity 0.8772 NPC280606
High Similarity 0.875 NPC74137
High Similarity 0.8739 NPC102639
High Similarity 0.873 NPC168059
High Similarity 0.873 NPC77196
High Similarity 0.873 NPC229442
High Similarity 0.873 NPC92805
High Similarity 0.872 NPC150011
High Similarity 0.872 NPC118114
High Similarity 0.872 NPC268917
High Similarity 0.872 NPC129106
High Similarity 0.872 NPC12875
High Similarity 0.872 NPC196765
High Similarity 0.872 NPC129784
High Similarity 0.872 NPC207892
High Similarity 0.872 NPC236014
High Similarity 0.872 NPC17343
High Similarity 0.872 NPC162801
High Similarity 0.872 NPC476166
High Similarity 0.872 NPC103799
High Similarity 0.872 NPC280653
High Similarity 0.872 NPC164574
High Similarity 0.872 NPC300875
High Similarity 0.872 NPC206224
High Similarity 0.872 NPC228369
High Similarity 0.8718 NPC33270
High Similarity 0.8718 NPC69261
High Similarity 0.8718 NPC244816
High Similarity 0.8718 NPC474933
High Similarity 0.8718 NPC50521
High Similarity 0.8718 NPC195466
High Similarity 0.8718 NPC221549
High Similarity 0.8707 NPC808
High Similarity 0.8684 NPC296920
High Similarity 0.8684 NPC90520
High Similarity 0.8684 NPC255068
High Similarity 0.8678 NPC474160
High Similarity 0.8667 NPC187868
High Similarity 0.8667 NPC212965
High Similarity 0.8667 NPC476633
High Similarity 0.8661 NPC225696
High Similarity 0.8661 NPC115335
High Similarity 0.8661 NPC106215
High Similarity 0.8661 NPC97834
High Similarity 0.8661 NPC198154
High Similarity 0.8661 NPC296915
High Similarity 0.8661 NPC223008
High Similarity 0.8655 NPC247553
High Similarity 0.8651 NPC185604
High Similarity 0.8651 NPC13005
High Similarity 0.8651 NPC78770
High Similarity 0.8651 NPC261619
High Similarity 0.8651 NPC219876
High Similarity 0.8651 NPC61477
High Similarity 0.8651 NPC126029
High Similarity 0.8651 NPC15658
High Similarity 0.8649 NPC8302
High Similarity 0.864 NPC32463
High Similarity 0.864 NPC470225
High Similarity 0.864 NPC27187
High Similarity 0.8629 NPC226331
High Similarity 0.8629 NPC46274
High Similarity 0.8621 NPC276737
High Similarity 0.8621 NPC22610
High Similarity 0.8621 NPC228287
High Similarity 0.8621 NPC161696
High Similarity 0.8621 NPC180508
High Similarity 0.8607 NPC228503
High Similarity 0.8607 NPC138248
High Similarity 0.8596 NPC94045
High Similarity 0.8595 NPC120638
High Similarity 0.8583 NPC215037
High Similarity 0.8583 NPC85435
High Similarity 0.8583 NPC302107
High Similarity 0.8583 NPC218753
High Similarity 0.8583 NPC11060
High Similarity 0.8571 NPC42760
High Similarity 0.8571 NPC184302
High Similarity 0.8571 NPC137294
High Similarity 0.8571 NPC268266
High Similarity 0.8571 NPC220825
High Similarity 0.8571 NPC181497
High Similarity 0.8571 NPC268342
High Similarity 0.8571 NPC85895
High Similarity 0.8571 NPC271945
High Similarity 0.8571 NPC250727
High Similarity 0.8548 NPC250432
High Similarity 0.8548 NPC5447
High Similarity 0.8547 NPC53906
High Similarity 0.8547 NPC167934
High Similarity 0.8537 NPC131397
High Similarity 0.8537 NPC105718
High Similarity 0.8537 NPC476254
High Similarity 0.8537 NPC113495
High Similarity 0.8537 NPC244495
High Similarity 0.8537 NPC278955
High Similarity 0.8537 NPC93219
High Similarity 0.8527 NPC18189
High Similarity 0.8527 NPC20829
High Similarity 0.8527 NPC262585
High Similarity 0.8525 NPC315807
High Similarity 0.8516 NPC117048
High Similarity 0.8516 NPC473107
High Similarity 0.8516 NPC124085
High Similarity 0.8516 NPC476615
High Similarity 0.8516 NPC476616
High Similarity 0.8516 NPC317380
High Similarity 0.8516 NPC476617
High Similarity 0.8509 NPC265211
High Similarity 0.8509 NPC306045
High Similarity 0.8504 NPC86655
High Similarity 0.8504 NPC113006
High Similarity 0.8504 NPC202762
High Similarity 0.8504 NPC307289
Intermediate Similarity 0.8492 NPC474481
Intermediate Similarity 0.8487 NPC190514
Intermediate Similarity 0.8487 NPC96705
Intermediate Similarity 0.8468 NPC170485
Intermediate Similarity 0.8455 NPC294156
Intermediate Similarity 0.8455 NPC228972
Intermediate Similarity 0.8455 NPC256015
Intermediate Similarity 0.8455 NPC122792
Intermediate Similarity 0.845 NPC151224
Intermediate Similarity 0.845 NPC195022
Intermediate Similarity 0.845 NPC470356
Intermediate Similarity 0.845 NPC473413
Intermediate Similarity 0.845 NPC164787
Intermediate Similarity 0.845 NPC474206
Intermediate Similarity 0.845 NPC112939
Intermediate Similarity 0.845 NPC112246
Intermediate Similarity 0.845 NPC15109
Intermediate Similarity 0.845 NPC121812
Intermediate Similarity 0.845 NPC61946

Drug Structure

External Identifiers

TTD   DCL000196
DrugBank   DB04915
ChEMBL   CHEMBL1957038
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID   219100
ChEBI  
CAS Number  81267-65-4

Drug Properties

Molecular Weight  240.08
ALogP  -0.7909
MLogP  2.78
XLogP  2.635
HDA  0
HBD  2
Rotatable Bonds  3
TPSA  49.69
RO5 Violation  0