Drug Information

Drug ID:  NPD9545
Drug Name:  Ethylparaben
Molecular Formula:  C9H10O3
Canonical SMILES:  CCOC(=O)c1ccc(cc1)O
Standard InCHI:  InChI=1S/C9H10O3/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6,10H,2H2,1H3
Standard InCHIKey:  NUVBSKCKDOMJSU-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9545

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 NPC94298
High Similarity 1.0 NPC27633
High Similarity 0.9818 NPC131192
High Similarity 0.9402 NPC184219
High Similarity 0.9397 NPC69403
High Similarity 0.9397 NPC291189
High Similarity 0.9386 NPC61779
High Similarity 0.9322 NPC49938
High Similarity 0.9244 NPC110211
High Similarity 0.9244 NPC204579
High Similarity 0.9237 NPC221798
High Similarity 0.9231 NPC67300
High Similarity 0.9091 NPC2596
High Similarity 0.9083 NPC475236
High Similarity 0.9035 NPC220540
High Similarity 0.9016 NPC194979
High Similarity 0.9016 NPC226855
High Similarity 0.9 NPC29883
High Similarity 0.8934 NPC473744
High Similarity 0.8926 NPC95309
High Similarity 0.8909 NPC184658
High Similarity 0.8852 NPC158654
High Similarity 0.8803 NPC94637
High Similarity 0.88 NPC302844
High Similarity 0.8783 NPC81808
High Similarity 0.873 NPC114116
High Similarity 0.8729 NPC328459
High Similarity 0.8729 NPC90522
High Similarity 0.872 NPC473777
High Similarity 0.8696 NPC11824
High Similarity 0.8661 NPC226699
High Similarity 0.8655 NPC72977
High Similarity 0.8644 NPC273282
High Similarity 0.8644 NPC474890
High Similarity 0.8644 NPC161943
High Similarity 0.864 NPC307732
High Similarity 0.864 NPC42292
High Similarity 0.8636 NPC304638
High Similarity 0.8632 NPC128825
High Similarity 0.8629 NPC2401
High Similarity 0.8609 NPC17693
High Similarity 0.8583 NPC156124
High Similarity 0.8583 NPC1321
High Similarity 0.8583 NPC304929
High Similarity 0.8571 NPC6984
High Similarity 0.8571 NPC104854
High Similarity 0.856 NPC94810
High Similarity 0.8548 NPC121104
High Similarity 0.8522 NPC212718
High Similarity 0.8522 NPC114682
High Similarity 0.8509 NPC95172
High Similarity 0.85 NPC233282
Intermediate Similarity 0.8492 NPC285776
Intermediate Similarity 0.8492 NPC109778
Intermediate Similarity 0.8482 NPC219913
Intermediate Similarity 0.848 NPC293453
Intermediate Similarity 0.8475 NPC83718
Intermediate Similarity 0.8475 NPC128249
Intermediate Similarity 0.8462 NPC170718
Intermediate Similarity 0.8455 NPC253746
Intermediate Similarity 0.845 NPC18646
Intermediate Similarity 0.8438 NPC283823
Intermediate Similarity 0.8438 NPC153783
Intermediate Similarity 0.8438 NPC159418
Intermediate Similarity 0.8438 NPC66158
Intermediate Similarity 0.8425 NPC470831
Intermediate Similarity 0.8425 NPC214702
Intermediate Similarity 0.8425 NPC264145
Intermediate Similarity 0.8421 NPC31274
Intermediate Similarity 0.8421 NPC206341
Intermediate Similarity 0.8413 NPC8005
Intermediate Similarity 0.8413 NPC78662
Intermediate Similarity 0.8403 NPC240664
Intermediate Similarity 0.839 NPC322358
Intermediate Similarity 0.8387 NPC165556
Intermediate Similarity 0.8385 NPC156892
Intermediate Similarity 0.8385 NPC291454
Intermediate Similarity 0.8364 NPC171843
Intermediate Similarity 0.8362 NPC23332
Intermediate Similarity 0.8362 NPC57879
Intermediate Similarity 0.8359 NPC111888
Intermediate Similarity 0.8359 NPC477407
Intermediate Similarity 0.8348 NPC234639
Intermediate Similarity 0.8346 NPC327457
Intermediate Similarity 0.8346 NPC86774
Intermediate Similarity 0.8333 NPC186098
Intermediate Similarity 0.8333 NPC52358
Intermediate Similarity 0.8333 NPC79332
Intermediate Similarity 0.8333 NPC80694
Intermediate Similarity 0.8319 NPC470860
Intermediate Similarity 0.8305 NPC252004
Intermediate Similarity 0.8295 NPC239855
Intermediate Similarity 0.8293 NPC475192
Intermediate Similarity 0.8288 NPC52472
Intermediate Similarity 0.8281 NPC198249
Intermediate Similarity 0.8281 NPC219892
Intermediate Similarity 0.8281 NPC189823
Intermediate Similarity 0.8276 NPC183648
Intermediate Similarity 0.8271 NPC469911
Intermediate Similarity 0.8261 NPC17525
Intermediate Similarity 0.8258 NPC478200
Intermediate Similarity 0.8258 NPC33144
Intermediate Similarity 0.8258 NPC221104
Intermediate Similarity 0.825 NPC122117
Intermediate Similarity 0.8246 NPC317592
Intermediate Similarity 0.8244 NPC235115
Intermediate Similarity 0.8244 NPC475111
Intermediate Similarity 0.824 NPC4164
Intermediate Similarity 0.8226 NPC174991
Intermediate Similarity 0.822 NPC242136
Intermediate Similarity 0.8217 NPC323379
Intermediate Similarity 0.8217 NPC327204
Intermediate Similarity 0.8209 NPC470842
Intermediate Similarity 0.8209 NPC472035
Intermediate Similarity 0.8209 NPC478201
Intermediate Similarity 0.8203 NPC12694
Intermediate Similarity 0.8203 NPC247779
Intermediate Similarity 0.8198 NPC245561
Intermediate Similarity 0.8182 NPC135837
Intermediate Similarity 0.8182 NPC261292
Intermediate Similarity 0.8182 NPC70380
Intermediate Similarity 0.8182 NPC276775
Intermediate Similarity 0.8182 NPC92754
Intermediate Similarity 0.8182 NPC301915
Intermediate Similarity 0.8182 NPC249912
Intermediate Similarity 0.8182 NPC241089
Intermediate Similarity 0.8175 NPC154275
Intermediate Similarity 0.8174 NPC260952
Intermediate Similarity 0.8168 NPC27407
Intermediate Similarity 0.8168 NPC142027
Intermediate Similarity 0.816 NPC145134
Intermediate Similarity 0.816 NPC6888
Intermediate Similarity 0.8158 NPC238115
Intermediate Similarity 0.8158 NPC127676
Intermediate Similarity 0.8154 NPC19719
Intermediate Similarity 0.8154 NPC477281
Intermediate Similarity 0.8154 NPC477280
Intermediate Similarity 0.8145 NPC46634
Intermediate Similarity 0.8136 NPC231717
Intermediate Similarity 0.8134 NPC326065
Intermediate Similarity 0.8134 NPC158472
Intermediate Similarity 0.8125 NPC60558
Intermediate Similarity 0.8125 NPC214246
Intermediate Similarity 0.812 NPC94248
Intermediate Similarity 0.812 NPC476003
Intermediate Similarity 0.812 NPC116842
Intermediate Similarity 0.812 NPC191835
Intermediate Similarity 0.812 NPC239943
Intermediate Similarity 0.812 NPC212693
Intermediate Similarity 0.812 NPC183700
Intermediate Similarity 0.8115 NPC161617
Intermediate Similarity 0.8115 NPC473767
Intermediate Similarity 0.8115 NPC156654
Intermediate Similarity 0.811 NPC305518
Intermediate Similarity 0.811 NPC128428
Intermediate Similarity 0.811 NPC37512
Intermediate Similarity 0.811 NPC281020
Intermediate Similarity 0.8108 NPC78701
Intermediate Similarity 0.8108 NPC225060
Intermediate Similarity 0.8108 NPC35448
Intermediate Similarity 0.8106 NPC156307
Intermediate Similarity 0.8106 NPC471345
Intermediate Similarity 0.8099 NPC45104
Intermediate Similarity 0.8099 NPC217423
Intermediate Similarity 0.8092 NPC175943
Intermediate Similarity 0.8092 NPC155098
Intermediate Similarity 0.8088 NPC469615
Intermediate Similarity 0.8087 NPC1065
Intermediate Similarity 0.8087 NPC187913
Intermediate Similarity 0.8077 NPC128348
Intermediate Similarity 0.8077 NPC112192
Intermediate Similarity 0.8077 NPC164236
Intermediate Similarity 0.8077 NPC313618
Intermediate Similarity 0.8077 NPC308037
Intermediate Similarity 0.8077 NPC309717
Intermediate Similarity 0.8077 NPC189106
Intermediate Similarity 0.8077 NPC66384
Intermediate Similarity 0.8077 NPC64359
Intermediate Similarity 0.8074 NPC184053
Intermediate Similarity 0.8074 NPC158634
Intermediate Similarity 0.8074 NPC478217
Intermediate Similarity 0.8074 NPC313123
Intermediate Similarity 0.807 NPC2518
Intermediate Similarity 0.8067 NPC109241
Intermediate Similarity 0.8062 NPC185497
Intermediate Similarity 0.806 NPC105456
Intermediate Similarity 0.806 NPC32360
Intermediate Similarity 0.806 NPC105525
Intermediate Similarity 0.806 NPC12218
Intermediate Similarity 0.806 NPC75763
Intermediate Similarity 0.806 NPC268052
Intermediate Similarity 0.806 NPC19622
Intermediate Similarity 0.806 NPC92655
Intermediate Similarity 0.806 NPC112789
Intermediate Similarity 0.806 NPC225036
Intermediate Similarity 0.806 NPC139634
Intermediate Similarity 0.8053 NPC94343
Intermediate Similarity 0.8051 NPC139946
Intermediate Similarity 0.8051 NPC268388
Intermediate Similarity 0.8045 NPC125417

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  166.06
ALogP  -0.1987
MLogP  2.12
XLogP  1.814
HDA  2
HBD  1
Rotatable Bonds  5
TPSA  46.53
RO5 Violation  0