Drug Information

Drug ID:  NPD316
Drug Name:  Etilefrine
Molecular Formula:  C10H15NO2
Canonical SMILES:  CCNCC(c1cccc(c1)O)O
Standard InCHI:  InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3
Standard InCHIKey:  SQVIAVUSQAWMKL-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD316

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 0.9909 NPC137096
High Similarity 0.9083 NPC323775
High Similarity 0.9083 NPC322366
High Similarity 0.9083 NPC236347
High Similarity 0.9035 NPC213
High Similarity 0.9035 NPC10286
High Similarity 0.8644 NPC85276
High Similarity 0.8636 NPC68055
High Similarity 0.8545 NPC327226
High Similarity 0.8509 NPC290566
High Similarity 0.8509 NPC145638
High Similarity 0.85 NPC115627
High Similarity 0.85 NPC118522
High Similarity 0.85 NPC169207
Intermediate Similarity 0.8393 NPC226778
Intermediate Similarity 0.8393 NPC147000
Intermediate Similarity 0.8393 NPC304761
Intermediate Similarity 0.8393 NPC150254
Intermediate Similarity 0.8281 NPC208757
Intermediate Similarity 0.8136 NPC146422
Intermediate Similarity 0.8036 NPC125732
Intermediate Similarity 0.8 NPC20142
Intermediate Similarity 0.8 NPC215351
Intermediate Similarity 0.7965 NPC289381
Intermediate Similarity 0.7965 NPC155847
Intermediate Similarity 0.7953 NPC318965
Intermediate Similarity 0.7946 NPC303611
Intermediate Similarity 0.7946 NPC164514
Intermediate Similarity 0.7946 NPC226096
Intermediate Similarity 0.7946 NPC290515
Intermediate Similarity 0.7946 NPC108606
Intermediate Similarity 0.7946 NPC474073
Intermediate Similarity 0.7923 NPC326599
Intermediate Similarity 0.7923 NPC329595
Intermediate Similarity 0.7807 NPC228400
Intermediate Similarity 0.7807 NPC214200
Intermediate Similarity 0.7795 NPC307020
Intermediate Similarity 0.7727 NPC302171
Intermediate Similarity 0.7727 NPC312304
Intermediate Similarity 0.7727 NPC33338
Intermediate Similarity 0.7727 NPC300020
Intermediate Similarity 0.7717 NPC298486
Intermediate Similarity 0.7705 NPC142599
Intermediate Similarity 0.7672 NPC178902
Intermediate Similarity 0.7656 NPC140359
Intermediate Similarity 0.7656 NPC13020
Intermediate Similarity 0.7652 NPC174911
Intermediate Similarity 0.7652 NPC29601
Intermediate Similarity 0.7603 NPC21890
Intermediate Similarity 0.7589 NPC138117
Intermediate Similarity 0.7589 NPC325292
Intermediate Similarity 0.7583 NPC316052
Intermediate Similarity 0.7545 NPC27974
Intermediate Similarity 0.754 NPC283760
Intermediate Similarity 0.7538 NPC141739
Intermediate Similarity 0.7538 NPC136112
Intermediate Similarity 0.7538 NPC320242
Intermediate Similarity 0.7534 NPC37205
Intermediate Similarity 0.7534 NPC160931
Intermediate Similarity 0.7521 NPC235762
Intermediate Similarity 0.7521 NPC471228
Intermediate Similarity 0.75 NPC294741
Intermediate Similarity 0.75 NPC130103
Intermediate Similarity 0.7479 NPC231705
Intermediate Similarity 0.7458 NPC475225
Intermediate Similarity 0.7456 NPC313650
Intermediate Similarity 0.7445 NPC214988
Intermediate Similarity 0.744 NPC281686
Intermediate Similarity 0.744 NPC188867
Intermediate Similarity 0.744 NPC106551
Intermediate Similarity 0.7438 NPC258056
Intermediate Similarity 0.7438 NPC172046
Intermediate Similarity 0.7438 NPC24777
Intermediate Similarity 0.7417 NPC142297
Intermediate Similarity 0.7411 NPC300017
Intermediate Similarity 0.741 NPC204546
Intermediate Similarity 0.7395 NPC471350
Intermediate Similarity 0.7391 NPC219233
Intermediate Similarity 0.7391 NPC211468
Intermediate Similarity 0.7391 NPC170170
Intermediate Similarity 0.7385 NPC318777
Intermediate Similarity 0.7381 NPC120075
Intermediate Similarity 0.7377 NPC474149
Intermediate Similarity 0.7368 NPC271808
Intermediate Similarity 0.7355 NPC153690
Intermediate Similarity 0.7338 NPC323123
Intermediate Similarity 0.7338 NPC168861
Intermediate Similarity 0.7333 NPC307123
Intermediate Similarity 0.7333 NPC247018
Intermediate Similarity 0.7333 NPC88667
Intermediate Similarity 0.7333 NPC97870
Intermediate Similarity 0.7333 NPC149379
Intermediate Similarity 0.7328 NPC152097
Intermediate Similarity 0.7328 NPC107619
Intermediate Similarity 0.7328 NPC88420
Intermediate Similarity 0.7319 NPC318591
Intermediate Similarity 0.7319 NPC231163
Intermediate Similarity 0.7317 NPC163674
Intermediate Similarity 0.7311 NPC323810
Intermediate Similarity 0.7295 NPC473524
Intermediate Similarity 0.7293 NPC16031
Intermediate Similarity 0.7293 NPC161593
Intermediate Similarity 0.7293 NPC145888
Intermediate Similarity 0.7288 NPC110764
Intermediate Similarity 0.7281 NPC210497
Intermediate Similarity 0.7281 NPC147284
Intermediate Similarity 0.7281 NPC162314
Intermediate Similarity 0.7281 NPC29373
Intermediate Similarity 0.7281 NPC306884
Intermediate Similarity 0.7281 NPC55903
Intermediate Similarity 0.7281 NPC94139
Intermediate Similarity 0.7281 NPC3358
Intermediate Similarity 0.728 NPC118202
Intermediate Similarity 0.7279 NPC267237
Intermediate Similarity 0.7273 NPC66834
Intermediate Similarity 0.7273 NPC150837
Intermediate Similarity 0.7273 NPC305603
Intermediate Similarity 0.7273 NPC186469
Intermediate Similarity 0.7273 NPC61033
Intermediate Similarity 0.7273 NPC474352
Intermediate Similarity 0.7266 NPC239697
Intermediate Similarity 0.7265 NPC260775
Intermediate Similarity 0.7257 NPC192
Intermediate Similarity 0.7254 NPC294249
Intermediate Similarity 0.7252 NPC217277
Intermediate Similarity 0.725 NPC42383
Intermediate Similarity 0.7246 NPC470249
Intermediate Similarity 0.7232 NPC104216
Intermediate Similarity 0.7231 NPC474862
Intermediate Similarity 0.7222 NPC317254
Intermediate Similarity 0.7217 NPC245187
Intermediate Similarity 0.7213 NPC24101
Intermediate Similarity 0.7213 NPC96224
Intermediate Similarity 0.7213 NPC97811
Intermediate Similarity 0.7203 NPC130756
Intermediate Similarity 0.7203 NPC70677
Intermediate Similarity 0.7203 NPC248396
Intermediate Similarity 0.7203 NPC129373
Intermediate Similarity 0.7203 NPC48730
Intermediate Similarity 0.7203 NPC12931
Intermediate Similarity 0.72 NPC59387
Intermediate Similarity 0.7193 NPC231150
Intermediate Similarity 0.7185 NPC262641
Intermediate Similarity 0.7179 NPC475078
Intermediate Similarity 0.7174 NPC64205
Intermediate Similarity 0.7167 NPC130817
Intermediate Similarity 0.7167 NPC12278
Intermediate Similarity 0.7155 NPC274678
Intermediate Similarity 0.7154 NPC65855
Intermediate Similarity 0.7154 NPC292758
Intermediate Similarity 0.7154 NPC284078
Intermediate Similarity 0.7153 NPC160692
Intermediate Similarity 0.7143 NPC23167
Intermediate Similarity 0.7143 NPC307235
Intermediate Similarity 0.7143 NPC407
Intermediate Similarity 0.7132 NPC268572
Intermediate Similarity 0.7123 NPC60538
Intermediate Similarity 0.7123 NPC207824
Intermediate Similarity 0.7119 NPC128723
Intermediate Similarity 0.7119 NPC216468
Intermediate Similarity 0.7119 NPC78119
Intermediate Similarity 0.7119 NPC51333
Intermediate Similarity 0.7119 NPC131587
Intermediate Similarity 0.7119 NPC132078
Intermediate Similarity 0.7111 NPC471306
Intermediate Similarity 0.7111 NPC471321
Intermediate Similarity 0.7109 NPC283468
Intermediate Similarity 0.7105 NPC300478
Intermediate Similarity 0.7105 NPC47950
Intermediate Similarity 0.7099 NPC211992
Intermediate Similarity 0.7099 NPC27581
Intermediate Similarity 0.7094 NPC259512
Intermediate Similarity 0.7094 NPC312132
Intermediate Similarity 0.7092 NPC251439
Intermediate Similarity 0.709 NPC321561
Intermediate Similarity 0.7087 NPC101139
Intermediate Similarity 0.7083 NPC108497
Intermediate Similarity 0.708 NPC25493
Intermediate Similarity 0.708 NPC19680
Intermediate Similarity 0.708 NPC113460
Intermediate Similarity 0.7077 NPC321133
Intermediate Similarity 0.7077 NPC160120
Intermediate Similarity 0.7077 NPC471308
Intermediate Similarity 0.7077 NPC17388
Intermediate Similarity 0.7077 NPC53596
Intermediate Similarity 0.7077 NPC289330
Intermediate Similarity 0.7071 NPC48202
Intermediate Similarity 0.7069 NPC76938
Intermediate Similarity 0.7068 NPC95733
Intermediate Similarity 0.7068 NPC62101
Intermediate Similarity 0.7068 NPC171372
Intermediate Similarity 0.7063 NPC26524
Intermediate Similarity 0.7059 NPC72729
Intermediate Similarity 0.7059 NPC474087
Intermediate Similarity 0.7059 NPC166761
Intermediate Similarity 0.7059 NPC213730
Intermediate Similarity 0.7054 NPC317784
Intermediate Similarity 0.7054 NPC142638
Intermediate Similarity 0.7054 NPC122009
Intermediate Similarity 0.7054 NPC197783

Drug Structure

External Identifiers

TTD   DIB001111
DrugBank   DB08985
ChEMBL   CHEMBL86882
IUPHAR/BPS  
PharmaGKB  
KEGG Drug   D07931
PubChem CID  
ChEBI   91518
CAS Number  709-55-7

Drug Properties

Molecular Weight  181.11
ALogP  -1.0271
MLogP  2.23
XLogP  0.887
HDA  2
HBD  3
Rotatable Bonds  7
TPSA  52.49
RO5 Violation  0