Drug Information

Drug ID:  NPD2555
Drug Name:  Diphenhydramine Hydrochloride
Molecular Formula:  C17H21NO.ClH
Canonical SMILES:  CN(CCOC(c1ccccc1)c1ccccc1)C.Cl
Standard InCHI:  InChI=1S/C17H21NO.ClH/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,17H,13-14H2,1-2H3;1H
Standard InCHIKey:  PCHPORCSPXIHLZ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2555

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 NPC316797
Intermediate Similarity 0.8131 NPC24777
Intermediate Similarity 0.8065 NPC165212
Intermediate Similarity 0.7885 NPC214200
Intermediate Similarity 0.7885 NPC228400
Intermediate Similarity 0.7863 NPC255253
Intermediate Similarity 0.7818 NPC269340
Intermediate Similarity 0.7798 NPC65855
Intermediate Similarity 0.7798 NPC292758
Intermediate Similarity 0.7677 NPC304760
Intermediate Similarity 0.7629 NPC95429
Intermediate Similarity 0.7607 NPC316896
Intermediate Similarity 0.7524 NPC475954
Intermediate Similarity 0.7477 NPC327226
Intermediate Similarity 0.7451 NPC119631
Intermediate Similarity 0.7449 NPC304538
Intermediate Similarity 0.7423 NPC106313
Intermediate Similarity 0.7374 NPC58616
Intermediate Similarity 0.7374 NPC475710
Intermediate Similarity 0.7364 NPC92623
Intermediate Similarity 0.7364 NPC135464
Intermediate Similarity 0.7358 NPC313918
Intermediate Similarity 0.7353 NPC213156
Intermediate Similarity 0.7353 NPC240108
Intermediate Similarity 0.7339 NPC147000
Intermediate Similarity 0.7339 NPC150254
Intermediate Similarity 0.7339 NPC304761
Intermediate Similarity 0.7339 NPC226778
Intermediate Similarity 0.7273 NPC211218
Intermediate Similarity 0.7273 NPC211551
Intermediate Similarity 0.7273 NPC154899
Intermediate Similarity 0.7273 NPC328267
Intermediate Similarity 0.7273 NPC233396
Intermediate Similarity 0.7255 NPC220893
Intermediate Similarity 0.7245 NPC103326
Intermediate Similarity 0.7245 NPC329319
Intermediate Similarity 0.7245 NPC283012
Intermediate Similarity 0.7245 NPC475199
Intermediate Similarity 0.7245 NPC87299
Intermediate Similarity 0.7245 NPC99394
Intermediate Similarity 0.7238 NPC20142
Intermediate Similarity 0.7238 NPC215351
Intermediate Similarity 0.7228 NPC89377
Intermediate Similarity 0.7227 NPC321133
Intermediate Similarity 0.7216 NPC164449
Intermediate Similarity 0.7216 NPC184030
Intermediate Similarity 0.7207 NPC326801
Intermediate Similarity 0.72 NPC99482
Intermediate Similarity 0.7196 NPC303611
Intermediate Similarity 0.7196 NPC290515
Intermediate Similarity 0.7196 NPC226096
Intermediate Similarity 0.7196 NPC108606
Intermediate Similarity 0.7196 NPC164514
Intermediate Similarity 0.7168 NPC474272
Intermediate Similarity 0.7168 NPC306045
Intermediate Similarity 0.7168 NPC265211
Intermediate Similarity 0.7156 NPC60373
Intermediate Similarity 0.7156 NPC154905
Intermediate Similarity 0.7143 NPC23453
Intermediate Similarity 0.7143 NPC117180
Intermediate Similarity 0.7131 NPC307020
Intermediate Similarity 0.713 NPC98911
Intermediate Similarity 0.713 NPC472318
Intermediate Similarity 0.7103 NPC325499
Intermediate Similarity 0.7103 NPC33168
Intermediate Similarity 0.7091 NPC234305
Intermediate Similarity 0.7087 NPC173443
Intermediate Similarity 0.7083 NPC476183
Intermediate Similarity 0.7083 NPC263835
Intermediate Similarity 0.7075 NPC58674
Intermediate Similarity 0.7075 NPC5472
Intermediate Similarity 0.7073 NPC62101
Intermediate Similarity 0.7073 NPC95733
Intermediate Similarity 0.7071 NPC73637
Intermediate Similarity 0.7071 NPC121478
Intermediate Similarity 0.7069 NPC123175
Intermediate Similarity 0.7069 NPC176730
Intermediate Similarity 0.7064 NPC245927
Intermediate Similarity 0.7059 NPC211237
Intermediate Similarity 0.7054 NPC474376
Intermediate Similarity 0.7054 NPC472315
Intermediate Similarity 0.7054 NPC472316
Intermediate Similarity 0.7054 NPC113457
Intermediate Similarity 0.7054 NPC475203
Intermediate Similarity 0.7048 NPC265521
Intermediate Similarity 0.7041 NPC328178
Intermediate Similarity 0.7037 NPC470161
Intermediate Similarity 0.7027 NPC85977
Intermediate Similarity 0.7025 NPC476281
Intermediate Similarity 0.7025 NPC476184
Intermediate Similarity 0.7019 NPC172128
Intermediate Similarity 0.7018 NPC273837
Intermediate Similarity 0.7016 NPC29477
Intermediate Similarity 0.7 NPC43275
Intermediate Similarity 0.7 NPC300166
Intermediate Similarity 0.7 NPC256369
Remote Similarity 0.6983 NPC290353
Remote Similarity 0.6983 NPC153795
Remote Similarity 0.6983 NPC128368
Remote Similarity 0.6983 NPC42911
Remote Similarity 0.6983 NPC265002
Remote Similarity 0.6972 NPC51333
Remote Similarity 0.6972 NPC132078
Remote Similarity 0.6972 NPC216468
Remote Similarity 0.6972 NPC78119
Remote Similarity 0.697 NPC133050
Remote Similarity 0.697 NPC189724
Remote Similarity 0.697 NPC212850
Remote Similarity 0.697 NPC83289
Remote Similarity 0.6967 NPC26285
Remote Similarity 0.6957 NPC95977
Remote Similarity 0.6949 NPC303370
Remote Similarity 0.693 NPC469636
Remote Similarity 0.6923 NPC1793
Remote Similarity 0.6923 NPC474544
Remote Similarity 0.6923 NPC231591
Remote Similarity 0.6923 NPC199567
Remote Similarity 0.6923 NPC26524
Remote Similarity 0.6923 NPC1986
Remote Similarity 0.6911 NPC476278
Remote Similarity 0.6911 NPC471315
Remote Similarity 0.6911 NPC471314
Remote Similarity 0.6909 NPC294741
Remote Similarity 0.6909 NPC213730
Remote Similarity 0.6909 NPC42211
Remote Similarity 0.6903 NPC136962
Remote Similarity 0.6897 NPC234376
Remote Similarity 0.6897 NPC166837
Remote Similarity 0.6893 NPC198747
Remote Similarity 0.6887 NPC321956
Remote Similarity 0.688 NPC136112
Remote Similarity 0.688 NPC320242
Remote Similarity 0.688 NPC141739
Remote Similarity 0.6863 NPC474354
Remote Similarity 0.6855 NPC285394
Remote Similarity 0.6855 NPC476241
Remote Similarity 0.6855 NPC476260
Remote Similarity 0.6852 NPC26244
Remote Similarity 0.6852 NPC21959
Remote Similarity 0.6847 NPC40258
Remote Similarity 0.6847 NPC91461
Remote Similarity 0.6847 NPC7686
Remote Similarity 0.6842 NPC186469
Remote Similarity 0.6833 NPC476266
Remote Similarity 0.6832 NPC172984
Remote Similarity 0.6818 NPC318591
Remote Similarity 0.6818 NPC471576
Remote Similarity 0.6818 NPC118343
Remote Similarity 0.6818 NPC231163
Remote Similarity 0.6814 NPC42383
Remote Similarity 0.6814 NPC269457
Remote Similarity 0.6814 NPC470393
Remote Similarity 0.681 NPC63345
Remote Similarity 0.681 NPC475852
Remote Similarity 0.681 NPC2682
Remote Similarity 0.6807 NPC473507
Remote Similarity 0.68 NPC476125
Remote Similarity 0.68 NPC476179
Remote Similarity 0.6796 NPC93843
Remote Similarity 0.6796 NPC474211
Remote Similarity 0.6792 NPC71853
Remote Similarity 0.6789 NPC473388
Remote Similarity 0.6789 NPC270654
Remote Similarity 0.6786 NPC301943
Remote Similarity 0.6786 NPC474365
Remote Similarity 0.6783 NPC97811
Remote Similarity 0.6783 NPC75440
Remote Similarity 0.6783 NPC201959
Remote Similarity 0.678 NPC120217
Remote Similarity 0.6768 NPC170484
Remote Similarity 0.6765 NPC247298
Remote Similarity 0.6765 NPC168855
Remote Similarity 0.6762 NPC9822
Remote Similarity 0.6759 NPC76938
Remote Similarity 0.6759 NPC151715
Remote Similarity 0.6759 NPC471581
Remote Similarity 0.6757 NPC289381
Remote Similarity 0.6757 NPC155847
Remote Similarity 0.675 NPC473556
Remote Similarity 0.675 NPC301651
Remote Similarity 0.6735 NPC66655
Remote Similarity 0.6733 NPC323103
Remote Similarity 0.6733 NPC103387
Remote Similarity 0.6731 NPC96625
Remote Similarity 0.6729 NPC128645
Remote Similarity 0.6727 NPC78701
Remote Similarity 0.6727 NPC35448
Remote Similarity 0.6727 NPC95755
Remote Similarity 0.6726 NPC108875
Remote Similarity 0.6726 NPC280616
Remote Similarity 0.6726 NPC171831
Remote Similarity 0.6726 NPC241224
Remote Similarity 0.6726 NPC38079
Remote Similarity 0.6726 NPC242913
Remote Similarity 0.6724 NPC158854
Remote Similarity 0.6721 NPC14950
Remote Similarity 0.6721 NPC172253
Remote Similarity 0.6721 NPC59561
Remote Similarity 0.6701 NPC189371
Remote Similarity 0.67 NPC121800

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  255.16
ALogP  0.0365
MLogP  3.11
XLogP  5.726
HDA  2
HBD  0
Rotatable Bonds  8
TPSA  12.47
RO5 Violation  1