Drug Information

Drug ID:  NPD855
Drug Name:  Etafedrine
Molecular Formula:  C12H19NO
Canonical SMILES:  CCN(C(C(c1ccccc1)O)C)C
Standard InCHI:  InChI=1S/C12H19NO/c1-4-13(3)10(2)12(14)11-8-6-5-7-9-11/h5-10,12,14H,4H2,1-3H3
Standard InCHIKey:  IRVLBORJKFZWMI-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD855

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 0.9894 NPC228400
High Similarity 0.9894 NPC214200
High Similarity 0.9192 NPC147000
High Similarity 0.9192 NPC226778
High Similarity 0.9192 NPC150254
High Similarity 0.9192 NPC304761
High Similarity 0.899 NPC327226
High Similarity 0.8878 NPC226096
High Similarity 0.8878 NPC290515
High Similarity 0.8878 NPC303611
High Similarity 0.8878 NPC108606
High Similarity 0.8878 NPC164514
High Similarity 0.875 NPC65855
High Similarity 0.875 NPC292758
High Similarity 0.8571 NPC215351
High Similarity 0.8571 NPC20142
Intermediate Similarity 0.819 NPC211551
Intermediate Similarity 0.8105 NPC304538
Intermediate Similarity 0.8103 NPC307020
Intermediate Similarity 0.8085 NPC87299
Intermediate Similarity 0.8085 NPC103326
Intermediate Similarity 0.8085 NPC329319
Intermediate Similarity 0.8085 NPC99394
Intermediate Similarity 0.8056 NPC24777
Intermediate Similarity 0.7981 NPC289381
Intermediate Similarity 0.7981 NPC155847
Intermediate Similarity 0.7979 NPC117180
Intermediate Similarity 0.7946 NPC213
Intermediate Similarity 0.7946 NPC10286
Intermediate Similarity 0.7909 NPC269340
Intermediate Similarity 0.7857 NPC211237
Intermediate Similarity 0.7833 NPC469666
Intermediate Similarity 0.7822 NPC265521
Intermediate Similarity 0.781 NPC316797
Intermediate Similarity 0.7807 NPC137096
Intermediate Similarity 0.7759 NPC326232
Intermediate Similarity 0.767 NPC58674
Intermediate Similarity 0.7647 NPC285394
Intermediate Similarity 0.7632 NPC101139
Intermediate Similarity 0.7629 NPC172984
Intermediate Similarity 0.7611 NPC1986
Intermediate Similarity 0.7611 NPC474544
Intermediate Similarity 0.7593 NPC88267
Intermediate Similarity 0.7593 NPC194390
Intermediate Similarity 0.7593 NPC113326
Intermediate Similarity 0.7593 NPC224610
Intermediate Similarity 0.7568 NPC145638
Intermediate Similarity 0.7568 NPC290566
Intermediate Similarity 0.7553 NPC66655
Intermediate Similarity 0.7525 NPC1793
Intermediate Similarity 0.7521 NPC65310
Intermediate Similarity 0.75 NPC198747
Intermediate Similarity 0.746 NPC273907
Intermediate Similarity 0.746 NPC293377
Intermediate Similarity 0.746 NPC260045
Intermediate Similarity 0.746 NPC475318
Intermediate Similarity 0.746 NPC49577
Intermediate Similarity 0.746 NPC90194
Intermediate Similarity 0.746 NPC474811
Intermediate Similarity 0.746 NPC118099
Intermediate Similarity 0.746 NPC476102
Intermediate Similarity 0.746 NPC474855
Intermediate Similarity 0.746 NPC151706
Intermediate Similarity 0.746 NPC474787
Intermediate Similarity 0.746 NPC9687
Intermediate Similarity 0.746 NPC475598
Intermediate Similarity 0.746 NPC76785
Intermediate Similarity 0.746 NPC79465
Intermediate Similarity 0.7459 NPC322366
Intermediate Similarity 0.7423 NPC133050
Intermediate Similarity 0.74 NPC93843
Intermediate Similarity 0.7391 NPC118202
Intermediate Similarity 0.7347 NPC283012
Intermediate Similarity 0.7347 NPC475199
Intermediate Similarity 0.7339 NPC178902
Intermediate Similarity 0.7333 NPC474862
Intermediate Similarity 0.7333 NPC303045
Intermediate Similarity 0.7333 NPC161972
Intermediate Similarity 0.7328 NPC317254
Intermediate Similarity 0.73 NPC474354
Intermediate Similarity 0.7297 NPC231705
Intermediate Similarity 0.7295 NPC477249
Intermediate Similarity 0.7295 NPC477248
Intermediate Similarity 0.7295 NPC474479
Intermediate Similarity 0.729 NPC322598
Intermediate Similarity 0.7264 NPC25565
Intermediate Similarity 0.7257 NPC258056
Intermediate Similarity 0.725 NPC56634
Intermediate Similarity 0.7238 NPC325292
Intermediate Similarity 0.7238 NPC138117
Intermediate Similarity 0.7234 NPC108218
Intermediate Similarity 0.7232 NPC142297
Intermediate Similarity 0.7228 NPC474211
Intermediate Similarity 0.7222 NPC125732
Intermediate Similarity 0.7212 NPC226438
Intermediate Similarity 0.7212 NPC79917
Intermediate Similarity 0.72 NPC168855
Intermediate Similarity 0.7196 NPC475439
Intermediate Similarity 0.7196 NPC33168
Intermediate Similarity 0.7196 NPC473501
Intermediate Similarity 0.7193 NPC474149
Intermediate Similarity 0.719 NPC252878
Intermediate Similarity 0.7184 NPC470877
Intermediate Similarity 0.7182 NPC68055
Intermediate Similarity 0.7177 NPC323775
Intermediate Similarity 0.7177 NPC236347
Intermediate Similarity 0.7176 NPC251439
Intermediate Similarity 0.7167 NPC190663
Intermediate Similarity 0.7165 NPC208757
Intermediate Similarity 0.7154 NPC171372
Intermediate Similarity 0.7154 NPC474847
Intermediate Similarity 0.7131 NPC46427
Intermediate Similarity 0.713 NPC474073
Intermediate Similarity 0.7129 NPC99482
Intermediate Similarity 0.712 NPC17374
Intermediate Similarity 0.7119 NPC82963
Intermediate Similarity 0.7115 NPC78041
Intermediate Similarity 0.7115 NPC159178
Intermediate Similarity 0.7115 NPC209764
Intermediate Similarity 0.7115 NPC121872
Intermediate Similarity 0.7115 NPC141139
Intermediate Similarity 0.7115 NPC74936
Intermediate Similarity 0.7115 NPC471307
Intermediate Similarity 0.7115 NPC316108
Intermediate Similarity 0.7113 NPC224544
Intermediate Similarity 0.7109 NPC132847
Intermediate Similarity 0.7103 NPC3371
Intermediate Similarity 0.7103 NPC313650
Intermediate Similarity 0.7097 NPC136112
Intermediate Similarity 0.7097 NPC141739
Intermediate Similarity 0.7097 NPC320242
Intermediate Similarity 0.7091 NPC318154
Intermediate Similarity 0.7083 NPC283760
Intermediate Similarity 0.7059 NPC311737
Intermediate Similarity 0.7059 NPC38458
Intermediate Similarity 0.7054 NPC67043
Intermediate Similarity 0.7054 NPC476198
Intermediate Similarity 0.7049 NPC160493
Intermediate Similarity 0.7049 NPC291027
Intermediate Similarity 0.7049 NPC84281
Intermediate Similarity 0.7049 NPC317474
Intermediate Similarity 0.7049 NPC169485
Intermediate Similarity 0.7049 NPC213126
Intermediate Similarity 0.7048 NPC300017
Intermediate Similarity 0.7041 NPC469894
Intermediate Similarity 0.7037 NPC311242
Intermediate Similarity 0.7025 NPC476990
Intermediate Similarity 0.7025 NPC321133
Intermediate Similarity 0.7021 NPC208302
Intermediate Similarity 0.7019 NPC113460
Intermediate Similarity 0.7019 NPC25493
Intermediate Similarity 0.7019 NPC199567
Intermediate Similarity 0.7018 NPC153690
Intermediate Similarity 0.7018 NPC96224
Intermediate Similarity 0.7018 NPC24101
Intermediate Similarity 0.7016 NPC62101
Intermediate Similarity 0.7016 NPC95733
Intermediate Similarity 0.7009 NPC35850
Intermediate Similarity 0.7009 NPC276949
Intermediate Similarity 0.7 NPC469481
Intermediate Similarity 0.7 NPC469457
Remote Similarity 0.699 NPC473031
Remote Similarity 0.6984 NPC8305
Remote Similarity 0.6984 NPC66177
Remote Similarity 0.6984 NPC268763
Remote Similarity 0.6979 NPC189371
Remote Similarity 0.697 NPC164449
Remote Similarity 0.697 NPC328178
Remote Similarity 0.697 NPC184030
Remote Similarity 0.6967 NPC202521
Remote Similarity 0.6961 NPC3210
Remote Similarity 0.696 NPC29477
Remote Similarity 0.6952 NPC280347
Remote Similarity 0.6952 NPC177420
Remote Similarity 0.6952 NPC123273
Remote Similarity 0.6952 NPC318325
Remote Similarity 0.6952 NPC172128
Remote Similarity 0.6952 NPC242240
Remote Similarity 0.6949 NPC33742
Remote Similarity 0.6944 NPC21959
Remote Similarity 0.6942 NPC319950
Remote Similarity 0.694 NPC266741
Remote Similarity 0.6931 NPC146703
Remote Similarity 0.6929 NPC69496
Remote Similarity 0.6923 NPC407
Remote Similarity 0.6923 NPC23167
Remote Similarity 0.6923 NPC307235
Remote Similarity 0.6916 NPC471309
Remote Similarity 0.6911 NPC109151
Remote Similarity 0.6911 NPC26285
Remote Similarity 0.6911 NPC142577
Remote Similarity 0.6909 NPC132078
Remote Similarity 0.6909 NPC78119
Remote Similarity 0.6909 NPC128723
Remote Similarity 0.6909 NPC216468
Remote Similarity 0.6909 NPC51333
Remote Similarity 0.6909 NPC12730
Remote Similarity 0.6905 NPC305717
Remote Similarity 0.6905 NPC319766
Remote Similarity 0.69 NPC231986

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  193.15
ALogP  -0.0416
MLogP  2.56
XLogP  3.182
HDA  2
HBD  1
Rotatable Bonds  8
TPSA  23.47
RO5 Violation  0