Drug Information

Drug ID:  NPD9501
Drug Name:  2-(4-Chlorphenoxy)-Ethanol
Molecular Formula:  C8H9ClO2
Canonical SMILES:  OCCOc1ccc(cc1)Cl
Standard InCHI:  InChI=1S/C8H9ClO2/c9-7-1-3-8(4-2-7)11-6-5-10/h1-4,10H,5-6H2
Standard InCHIKey:  GEGSSUSEWOHAFE-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9501

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 0.8854 NPC318429
Intermediate Similarity 0.8393 NPC204617
Intermediate Similarity 0.8142 NPC161768
Intermediate Similarity 0.8077 NPC314803
Intermediate Similarity 0.8077 NPC132725
Intermediate Similarity 0.7863 NPC205213
Intermediate Similarity 0.7727 NPC194034
Intermediate Similarity 0.7706 NPC17537
Intermediate Similarity 0.7677 NPC38459
Intermediate Similarity 0.7677 NPC125306
Intermediate Similarity 0.7624 NPC206876
Intermediate Similarity 0.7593 NPC51633
Intermediate Similarity 0.7526 NPC124576
Intermediate Similarity 0.7524 NPC114325
Intermediate Similarity 0.7523 NPC192596
Intermediate Similarity 0.7522 NPC46844
Intermediate Similarity 0.75 NPC23837
Intermediate Similarity 0.7477 NPC41594
Intermediate Similarity 0.7455 NPC38079
Intermediate Similarity 0.7455 NPC108875
Intermediate Similarity 0.7391 NPC115379
Intermediate Similarity 0.7387 NPC8302
Intermediate Similarity 0.7387 NPC470393
Intermediate Similarity 0.7379 NPC157213
Intermediate Similarity 0.7328 NPC301735
Intermediate Similarity 0.7327 NPC33756
Intermediate Similarity 0.7317 NPC235370
Intermediate Similarity 0.7304 NPC55300
Intermediate Similarity 0.7265 NPC142319
Intermediate Similarity 0.7248 NPC100870
Intermediate Similarity 0.7248 NPC307039
Intermediate Similarity 0.7241 NPC165646
Intermediate Similarity 0.717 NPC322888
Intermediate Similarity 0.7168 NPC473653
Intermediate Similarity 0.7156 NPC95755
Intermediate Similarity 0.7156 NPC313918
Intermediate Similarity 0.7154 NPC151237
Intermediate Similarity 0.7143 NPC302546
Intermediate Similarity 0.7143 NPC290470
Intermediate Similarity 0.7143 NPC154256
Intermediate Similarity 0.7105 NPC258171
Intermediate Similarity 0.7105 NPC227894
Intermediate Similarity 0.7105 NPC251306
Intermediate Similarity 0.7091 NPC471576
Intermediate Similarity 0.7083 NPC9248
Intermediate Similarity 0.7083 NPC142042
Intermediate Similarity 0.708 NPC307875
Intermediate Similarity 0.7054 NPC305205
Intermediate Similarity 0.7054 NPC193334
Intermediate Similarity 0.7048 NPC47422
Intermediate Similarity 0.7037 NPC16649
Intermediate Similarity 0.7025 NPC101503
Intermediate Similarity 0.7025 NPC228907
Intermediate Similarity 0.7009 NPC78918
Intermediate Similarity 0.7009 NPC139617
Remote Similarity 0.6991 NPC283546
Remote Similarity 0.6985 NPC473874
Remote Similarity 0.6981 NPC8002
Remote Similarity 0.6981 NPC99886
Remote Similarity 0.6981 NPC259134
Remote Similarity 0.6981 NPC177844
Remote Similarity 0.6967 NPC163036
Remote Similarity 0.6935 NPC14287
Remote Similarity 0.693 NPC473855
Remote Similarity 0.693 NPC128730
Remote Similarity 0.6929 NPC8058
Remote Similarity 0.6923 NPC137685
Remote Similarity 0.6916 NPC71853
Remote Similarity 0.6911 NPC60589
Remote Similarity 0.6911 NPC469708
Remote Similarity 0.688 NPC27198
Remote Similarity 0.6875 NPC107101
Remote Similarity 0.687 NPC66643
Remote Similarity 0.687 NPC176971
Remote Similarity 0.6864 NPC266932
Remote Similarity 0.6855 NPC473875
Remote Similarity 0.6855 NPC198734
Remote Similarity 0.6855 NPC269242
Remote Similarity 0.6855 NPC469412
Remote Similarity 0.6852 NPC321956
Remote Similarity 0.6852 NPC174048
Remote Similarity 0.6838 NPC233731
Remote Similarity 0.6838 NPC7097
Remote Similarity 0.6838 NPC36108
Remote Similarity 0.6838 NPC246358
Remote Similarity 0.6833 NPC235250
Remote Similarity 0.6833 NPC161696
Remote Similarity 0.6814 NPC307425
Remote Similarity 0.6814 NPC12714
Remote Similarity 0.6814 NPC310905
Remote Similarity 0.681 NPC151530
Remote Similarity 0.681 NPC157473
Remote Similarity 0.681 NPC124712
Remote Similarity 0.6807 NPC266116
Remote Similarity 0.68 NPC127389
Remote Similarity 0.68 NPC57751
Remote Similarity 0.68 NPC226712
Remote Similarity 0.68 NPC290451
Remote Similarity 0.6777 NPC301321
Remote Similarity 0.6769 NPC246991
Remote Similarity 0.6754 NPC179686
Remote Similarity 0.6752 NPC241549
Remote Similarity 0.6752 NPC291837
Remote Similarity 0.6748 NPC329980
Remote Similarity 0.6746 NPC90577
Remote Similarity 0.6746 NPC71090
Remote Similarity 0.6727 NPC471581
Remote Similarity 0.6726 NPC13755
Remote Similarity 0.6724 NPC326801
Remote Similarity 0.6724 NPC232654
Remote Similarity 0.6723 NPC173746
Remote Similarity 0.6723 NPC245552
Remote Similarity 0.6723 NPC195873
Remote Similarity 0.6723 NPC156840
Remote Similarity 0.6723 NPC8547
Remote Similarity 0.6723 NPC257124
Remote Similarity 0.6721 NPC221049
Remote Similarity 0.672 NPC276195
Remote Similarity 0.672 NPC199023
Remote Similarity 0.672 NPC475529
Remote Similarity 0.6696 NPC292792
Remote Similarity 0.6696 NPC474603
Remote Similarity 0.6696 NPC2518
Remote Similarity 0.6696 NPC175298
Remote Similarity 0.6696 NPC12987
Remote Similarity 0.6695 NPC474272
Remote Similarity 0.6695 NPC149545
Remote Similarity 0.6694 NPC37858
Remote Similarity 0.6667 NPC86947
Remote Similarity 0.6667 NPC84325
Remote Similarity 0.6667 NPC164386
Remote Similarity 0.6641 NPC287429
Remote Similarity 0.6641 NPC114901
Remote Similarity 0.6641 NPC109822
Remote Similarity 0.6641 NPC94276
Remote Similarity 0.6641 NPC25817
Remote Similarity 0.6641 NPC221090
Remote Similarity 0.6641 NPC293701
Remote Similarity 0.6641 NPC48990
Remote Similarity 0.6639 NPC95977
Remote Similarity 0.6639 NPC25067
Remote Similarity 0.6639 NPC231251
Remote Similarity 0.6639 NPC88868
Remote Similarity 0.6638 NPC238115
Remote Similarity 0.6638 NPC473393
Remote Similarity 0.6638 NPC288760
Remote Similarity 0.6638 NPC227255
Remote Similarity 0.6617 NPC139335
Remote Similarity 0.6617 NPC273984
Remote Similarity 0.6614 NPC152722
Remote Similarity 0.6613 NPC124916
Remote Similarity 0.6613 NPC283616
Remote Similarity 0.6613 NPC255675
Remote Similarity 0.6612 NPC303522
Remote Similarity 0.661 NPC146530
Remote Similarity 0.6602 NPC204932
Remote Similarity 0.6589 NPC136112
Remote Similarity 0.6589 NPC167571
Remote Similarity 0.6589 NPC207179
Remote Similarity 0.6589 NPC278552
Remote Similarity 0.6589 NPC470510
Remote Similarity 0.6589 NPC194519
Remote Similarity 0.6589 NPC141739
Remote Similarity 0.6589 NPC320242
Remote Similarity 0.6581 NPC326447
Remote Similarity 0.6581 NPC113457
Remote Similarity 0.6574 NPC104216
Remote Similarity 0.6569 NPC86087
Remote Similarity 0.6566 NPC100980
Remote Similarity 0.6562 NPC192810
Remote Similarity 0.6562 NPC474130
Remote Similarity 0.6562 NPC217854
Remote Similarity 0.656 NPC135961
Remote Similarity 0.656 NPC320987
Remote Similarity 0.656 NPC24474
Remote Similarity 0.656 NPC311595
Remote Similarity 0.656 NPC181969
Remote Similarity 0.6552 NPC109637
Remote Similarity 0.6549 NPC470161
Remote Similarity 0.6538 NPC233559
Remote Similarity 0.6538 NPC58607
Remote Similarity 0.6538 NPC298845
Remote Similarity 0.6538 NPC191037
Remote Similarity 0.6538 NPC178284
Remote Similarity 0.6535 NPC470804
Remote Similarity 0.6532 NPC76915
Remote Similarity 0.6532 NPC39793
Remote Similarity 0.6532 NPC151617
Remote Similarity 0.6529 NPC474920
Remote Similarity 0.6525 NPC233320
Remote Similarity 0.6522 NPC300166
Remote Similarity 0.6512 NPC74478
Remote Similarity 0.6512 NPC33402
Remote Similarity 0.6508 NPC177475
Remote Similarity 0.6508 NPC202474
Remote Similarity 0.6508 NPC229401
Remote Similarity 0.6508 NPC193193
Remote Similarity 0.6508 NPC35071
Remote Similarity 0.6508 NPC67791
Remote Similarity 0.6508 NPC148615

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  172.03
ALogP  0.1531
MLogP  2.01
XLogP  1.739
HDA  1
HBD  1
Rotatable Bonds  5
TPSA  29.46
RO5 Violation  0