Drug Information

Drug ID:  NPD9095
Drug Name:  Ethamsylate
Molecular Formula:  C6H6O5S.C4H11N
Canonical SMILES:  Oc1ccc(c(c1)S(=O)(=O)O)O.CCNCC
Standard InCHI:  InChI=1S/C6H6O5S.C4H11N/c7-4-1-2-5(8)6(3-4)12(9,10)11;1-3-5-4-2/h1-3,7-8H,(H,9,10,11);5H,3-4H2,1-2H3
Standard InCHIKey:  HBGOLJKPSFNJSD-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD9095

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 0.8925 NPC277758
Intermediate Similarity 0.7912 NPC65517
Intermediate Similarity 0.7473 NPC100980
Intermediate Similarity 0.7113 NPC204932
Intermediate Similarity 0.7059 NPC157213
Intermediate Similarity 0.7041 NPC270094
Remote Similarity 0.6939 NPC4154
Remote Similarity 0.6923 NPC288923
Remote Similarity 0.6804 NPC322285
Remote Similarity 0.6792 NPC29373
Remote Similarity 0.6702 NPC215445
Remote Similarity 0.6667 NPC38459
Remote Similarity 0.6667 NPC265146
Remote Similarity 0.6667 NPC319826
Remote Similarity 0.6667 NPC124436
Remote Similarity 0.6667 NPC33756
Remote Similarity 0.6635 NPC280254
Remote Similarity 0.6607 NPC477801
Remote Similarity 0.6607 NPC477802
Remote Similarity 0.6604 NPC312304
Remote Similarity 0.6602 NPC175313
Remote Similarity 0.6602 NPC248817
Remote Similarity 0.6602 NPC150837
Remote Similarity 0.6602 NPC286904
Remote Similarity 0.6587 NPC179468
Remote Similarity 0.6571 NPC104216
Remote Similarity 0.6545 NPC140619
Remote Similarity 0.6545 NPC88420
Remote Similarity 0.6545 NPC152097
Remote Similarity 0.6545 NPC475078
Remote Similarity 0.6538 NPC197783
Remote Similarity 0.6538 NPC155393
Remote Similarity 0.6505 NPC23837
Remote Similarity 0.6486 NPC275104
Remote Similarity 0.6486 NPC260775
Remote Similarity 0.6486 NPC307039
Remote Similarity 0.6476 NPC407
Remote Similarity 0.6476 NPC184169
Remote Similarity 0.6476 NPC307235
Remote Similarity 0.6476 NPC23167
Remote Similarity 0.6449 NPC47950
Remote Similarity 0.6449 NPC300017
Remote Similarity 0.6449 NPC300478
Remote Similarity 0.6429 NPC12931
Remote Similarity 0.6429 NPC48730
Remote Similarity 0.6429 NPC129373
Remote Similarity 0.6429 NPC130756
Remote Similarity 0.6429 NPC130103
Remote Similarity 0.6429 NPC70677
Remote Similarity 0.6429 NPC248396
Remote Similarity 0.6415 NPC113460
Remote Similarity 0.6415 NPC25493
Remote Similarity 0.6415 NPC27974
Remote Similarity 0.6404 NPC93831
Remote Similarity 0.6389 NPC270547
Remote Similarity 0.6389 NPC45040
Remote Similarity 0.6381 NPC252149
Remote Similarity 0.6372 NPC80800
Remote Similarity 0.6372 NPC12221
Remote Similarity 0.6355 NPC318325
Remote Similarity 0.6355 NPC177420
Remote Similarity 0.6355 NPC123273
Remote Similarity 0.6355 NPC280347
Remote Similarity 0.6355 NPC98772
Remote Similarity 0.6355 NPC258219
Remote Similarity 0.6355 NPC242240
Remote Similarity 0.633 NPC325292
Remote Similarity 0.633 NPC181709
Remote Similarity 0.633 NPC138117
Remote Similarity 0.6316 NPC108497
Remote Similarity 0.6316 NPC233827
Remote Similarity 0.6296 NPC55561
Remote Similarity 0.6296 NPC192
Remote Similarity 0.6296 NPC151764
Remote Similarity 0.6273 NPC151715
Remote Similarity 0.6273 NPC16649
Remote Similarity 0.6273 NPC32977
Remote Similarity 0.6273 NPC114325
Remote Similarity 0.6273 NPC81010
Remote Similarity 0.6273 NPC128062
Remote Similarity 0.6262 NPC19680
Remote Similarity 0.6261 NPC475580
Remote Similarity 0.6261 NPC130817
Remote Similarity 0.625 NPC474073
Remote Similarity 0.6239 NPC204210
Remote Similarity 0.6239 NPC231150
Remote Similarity 0.6239 NPC322888
Remote Similarity 0.6239 NPC474352
Remote Similarity 0.6239 NPC155908
Remote Similarity 0.6239 NPC174048
Remote Similarity 0.6239 NPC304541
Remote Similarity 0.6239 NPC306074
Remote Similarity 0.6228 NPC477685
Remote Similarity 0.6216 NPC313650
Remote Similarity 0.6216 NPC286006
Remote Similarity 0.6216 NPC257182
Remote Similarity 0.6216 NPC274678
Remote Similarity 0.6216 NPC26244
Remote Similarity 0.6216 NPC107522
Remote Similarity 0.6216 NPC246679
Remote Similarity 0.6207 NPC47284
Remote Similarity 0.6195 NPC130193
Remote Similarity 0.6186 NPC169450
Remote Similarity 0.6182 NPC147284
Remote Similarity 0.6182 NPC3358
Remote Similarity 0.6182 NPC295295
Remote Similarity 0.6182 NPC306884
Remote Similarity 0.6182 NPC210497
Remote Similarity 0.6182 NPC162314
Remote Similarity 0.6182 NPC55903
Remote Similarity 0.6182 NPC94139
Remote Similarity 0.6182 NPC271440
Remote Similarity 0.6176 NPC124576
Remote Similarity 0.6174 NPC269212
Remote Similarity 0.6161 NPC473388
Remote Similarity 0.6161 NPC283711
Remote Similarity 0.6161 NPC82664
Remote Similarity 0.6161 NPC132271
Remote Similarity 0.6161 NPC292730
Remote Similarity 0.6161 NPC216520
Remote Similarity 0.616 NPC323074
Remote Similarity 0.6154 NPC155072
Remote Similarity 0.6154 NPC67250
Remote Similarity 0.6154 NPC232654
Remote Similarity 0.6154 NPC53740
Remote Similarity 0.6154 NPC54765
Remote Similarity 0.614 NPC174911
Remote Similarity 0.614 NPC223393
Remote Similarity 0.614 NPC328793
Remote Similarity 0.6134 NPC473524
Remote Similarity 0.6126 NPC27323
Remote Similarity 0.6126 NPC316301
Remote Similarity 0.6126 NPC245187
Remote Similarity 0.6126 NPC152415
Remote Similarity 0.6126 NPC76938
Remote Similarity 0.6121 NPC323810
Remote Similarity 0.6121 NPC272029
Remote Similarity 0.6111 NPC318581
Remote Similarity 0.6111 NPC325544
Remote Similarity 0.6111 NPC477037
Remote Similarity 0.6106 NPC201967
Remote Similarity 0.6106 NPC291789
Remote Similarity 0.6106 NPC107619
Remote Similarity 0.6106 NPC315921
Remote Similarity 0.6106 NPC260000
Remote Similarity 0.6106 NPC109955
Remote Similarity 0.6102 NPC124712
Remote Similarity 0.6102 NPC320439
Remote Similarity 0.6102 NPC233320
Remote Similarity 0.6087 NPC40258
Remote Similarity 0.6087 NPC7686
Remote Similarity 0.6087 NPC91461
Remote Similarity 0.6083 NPC471535
Remote Similarity 0.6071 NPC32714
Remote Similarity 0.6071 NPC8392
Remote Similarity 0.6055 NPC70436
Remote Similarity 0.6053 NPC314803
Remote Similarity 0.6053 NPC280869
Remote Similarity 0.6053 NPC245561
Remote Similarity 0.6053 NPC92730
Remote Similarity 0.6053 NPC132078
Remote Similarity 0.6053 NPC171843
Remote Similarity 0.6053 NPC80027
Remote Similarity 0.6053 NPC128723
Remote Similarity 0.6053 NPC216468
Remote Similarity 0.6053 NPC131587
Remote Similarity 0.6053 NPC51333
Remote Similarity 0.6053 NPC78119
Remote Similarity 0.605 NPC95344
Remote Similarity 0.6034 NPC13426
Remote Similarity 0.6034 NPC68269
Remote Similarity 0.6034 NPC235762
Remote Similarity 0.6034 NPC471228
Remote Similarity 0.6033 NPC228609
Remote Similarity 0.6018 NPC259512
Remote Similarity 0.6018 NPC312132
Remote Similarity 0.6018 NPC202986
Remote Similarity 0.6017 NPC469913
Remote Similarity 0.6 NPC161571
Remote Similarity 0.6 NPC10588
Remote Similarity 0.6 NPC316052
Remote Similarity 0.6 NPC98392
Remote Similarity 0.6 NPC72729
Remote Similarity 0.6 NPC275053
Remote Similarity 0.6 NPC318429
Remote Similarity 0.6 NPC253746
Remote Similarity 0.6 NPC52472
Remote Similarity 0.6 NPC248573
Remote Similarity 0.6 NPC213730
Remote Similarity 0.6 NPC166761
Remote Similarity 0.6 NPC294741
Remote Similarity 0.5983 NPC475225
Remote Similarity 0.5983 NPC52087
Remote Similarity 0.5983 NPC288411
Remote Similarity 0.5983 NPC471511
Remote Similarity 0.5982 NPC289769
Remote Similarity 0.5965 NPC79241
Remote Similarity 0.5965 NPC156313
Remote Similarity 0.5965 NPC32674
Remote Similarity 0.5965 NPC225464

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  189.99
ALogP  -1.4621
MLogP  1.46
XLogP  0.376
HDA  3
HBD  3
Rotatable Bonds  4
TPSA  103.21
RO5 Violation  0