Drug Information

Drug ID:  NPD4717
Drug Name:  Biperiden Lactate
Molecular Formula:  C21H29NO.C3H6O3
Canonical SMILES:  OC(C1CC2CC1C=C2)(c1ccccc1)CCN1CCCCC1.OC(=O)C(O)C
Standard InCHI:  InChI=1S/C21H29NO.C3H6O3/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17;1-2(4)3(5)6/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2;2,4H,1H3,(H,5,6)
Standard InCHIKey:  GLPUBCPQWZZFNJ-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD4717

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
Intermediate Similarity 0.8108 NPC292758
Intermediate Similarity 0.8108 NPC65855
Intermediate Similarity 0.7545 NPC214200
Intermediate Similarity 0.7545 NPC228400
Intermediate Similarity 0.7398 NPC109151
Intermediate Similarity 0.7379 NPC474354
Intermediate Similarity 0.7377 NPC321133
Intermediate Similarity 0.7327 NPC133050
Intermediate Similarity 0.7308 NPC474211
Intermediate Similarity 0.7282 NPC168855
Intermediate Similarity 0.7232 NPC289381
Intermediate Similarity 0.7232 NPC155847
Intermediate Similarity 0.7232 NPC469457
Intermediate Similarity 0.7231 NPC3202
Intermediate Similarity 0.7188 NPC66177
Intermediate Similarity 0.7188 NPC268763
Intermediate Similarity 0.7188 NPC8305
Intermediate Similarity 0.7168 NPC327226
Intermediate Similarity 0.7143 NPC285394
Intermediate Similarity 0.7143 NPC307020
Intermediate Similarity 0.7132 NPC124802
Intermediate Similarity 0.713 NPC471133
Intermediate Similarity 0.713 NPC79917
Intermediate Similarity 0.7117 NPC33168
Intermediate Similarity 0.7103 NPC1793
Intermediate Similarity 0.7099 NPC313663
Intermediate Similarity 0.7091 NPC20142
Intermediate Similarity 0.7091 NPC215351
Intermediate Similarity 0.7077 NPC259665
Intermediate Similarity 0.7077 NPC89769
Intermediate Similarity 0.7077 NPC126859
Intermediate Similarity 0.7045 NPC132847
Intermediate Similarity 0.7043 NPC147000
Intermediate Similarity 0.7043 NPC315794
Intermediate Similarity 0.7043 NPC304761
Intermediate Similarity 0.7043 NPC226778
Intermediate Similarity 0.7043 NPC150254
Intermediate Similarity 0.7031 NPC65310
Intermediate Similarity 0.7027 NPC21959
Remote Similarity 0.6984 NPC169485
Remote Similarity 0.6984 NPC84281
Remote Similarity 0.6984 NPC291027
Remote Similarity 0.6984 NPC213126
Remote Similarity 0.6984 NPC317474
Remote Similarity 0.6983 NPC211551
Remote Similarity 0.6981 NPC243166
Remote Similarity 0.6981 NPC93843
Remote Similarity 0.6975 NPC474149
Remote Similarity 0.696 NPC326232
Remote Similarity 0.6952 NPC304538
Remote Similarity 0.6952 NPC95429
Remote Similarity 0.693 NPC316797
Remote Similarity 0.6923 NPC274089
Remote Similarity 0.6923 NPC191215
Remote Similarity 0.6916 NPC198747
Remote Similarity 0.6909 NPC314690
Remote Similarity 0.6906 NPC44649
Remote Similarity 0.6903 NPC303611
Remote Similarity 0.6903 NPC290515
Remote Similarity 0.6903 NPC164514
Remote Similarity 0.6903 NPC108606
Remote Similarity 0.6903 NPC226096
Remote Similarity 0.6893 NPC328178
Remote Similarity 0.6881 NPC172128
Remote Similarity 0.6866 NPC118099
Remote Similarity 0.6866 NPC273907
Remote Similarity 0.6866 NPC151706
Remote Similarity 0.6866 NPC475318
Remote Similarity 0.6866 NPC49577
Remote Similarity 0.6866 NPC475598
Remote Similarity 0.6866 NPC260045
Remote Similarity 0.6866 NPC79465
Remote Similarity 0.6866 NPC293377
Remote Similarity 0.6866 NPC76785
Remote Similarity 0.6866 NPC476102
Remote Similarity 0.6866 NPC474855
Remote Similarity 0.6866 NPC90194
Remote Similarity 0.6866 NPC474811
Remote Similarity 0.6866 NPC474787
Remote Similarity 0.6866 NPC9687
Remote Similarity 0.6842 NPC149379
Remote Similarity 0.6827 NPC117180
Remote Similarity 0.6818 NPC192
Remote Similarity 0.6814 NPC82664
Remote Similarity 0.6814 NPC216520
Remote Similarity 0.6814 NPC132271
Remote Similarity 0.6814 NPC292730
Remote Similarity 0.681 NPC68055
Remote Similarity 0.681 NPC19856
Remote Similarity 0.6809 NPC476757
Remote Similarity 0.6807 NPC24101
Remote Similarity 0.6807 NPC96224
Remote Similarity 0.6794 NPC40488
Remote Similarity 0.6786 NPC475578
Remote Similarity 0.6786 NPC76938
Remote Similarity 0.6786 NPC328824
Remote Similarity 0.6783 NPC289117
Remote Similarity 0.678 NPC231705
Remote Similarity 0.6772 NPC316896
Remote Similarity 0.6765 NPC316906
Remote Similarity 0.6762 NPC329319
Remote Similarity 0.6762 NPC103326
Remote Similarity 0.6762 NPC99394
Remote Similarity 0.6762 NPC87299
Remote Similarity 0.6759 NPC211237
Remote Similarity 0.6757 NPC304541
Remote Similarity 0.6757 NPC265521
Remote Similarity 0.6752 NPC254965
Remote Similarity 0.6752 NPC327811
Remote Similarity 0.675 NPC24777
Remote Similarity 0.675 NPC258056
Remote Similarity 0.6733 NPC189371
Remote Similarity 0.6726 NPC32714
Remote Similarity 0.6723 NPC142297
Remote Similarity 0.6718 NPC305717
Remote Similarity 0.6715 NPC153007
Remote Similarity 0.6698 NPC477770
Remote Similarity 0.6698 NPC172984
Remote Similarity 0.6696 NPC210497
Remote Similarity 0.6696 NPC94139
Remote Similarity 0.6696 NPC125732
Remote Similarity 0.6696 NPC162314
Remote Similarity 0.6696 NPC306884
Remote Similarity 0.6696 NPC147284
Remote Similarity 0.6696 NPC3358
Remote Similarity 0.6694 NPC469719
Remote Similarity 0.6692 NPC477249
Remote Similarity 0.6692 NPC477248
Remote Similarity 0.6667 NPC64586
Remote Similarity 0.6667 NPC153690
Remote Similarity 0.6667 NPC203076
Remote Similarity 0.6667 NPC178902
Remote Similarity 0.6667 NPC202986
Remote Similarity 0.6667 NPC473388
Remote Similarity 0.6643 NPC473922
Remote Similarity 0.6639 NPC310456
Remote Similarity 0.6639 NPC322753
Remote Similarity 0.6638 NPC245927
Remote Similarity 0.6638 NPC72729
Remote Similarity 0.6637 NPC316301
Remote Similarity 0.6637 NPC27323
Remote Similarity 0.6637 NPC151715
Remote Similarity 0.6637 NPC152415
Remote Similarity 0.6637 NPC58674
Remote Similarity 0.6636 NPC470877
Remote Similarity 0.6636 NPC199567
Remote Similarity 0.6617 NPC69496
Remote Similarity 0.6613 NPC118202
Remote Similarity 0.6612 NPC158854
Remote Similarity 0.661 NPC323810
Remote Similarity 0.6609 NPC225464
Remote Similarity 0.6609 NPC79241
Remote Similarity 0.6609 NPC6597
Remote Similarity 0.6609 NPC77492
Remote Similarity 0.6607 NPC128645
Remote Similarity 0.6604 NPC14326
Remote Similarity 0.6604 NPC475199
Remote Similarity 0.6604 NPC283012
Remote Similarity 0.6602 NPC66655
Remote Similarity 0.6583 NPC27252
Remote Similarity 0.6583 NPC472979
Remote Similarity 0.6583 NPC472980
Remote Similarity 0.6581 NPC51015
Remote Similarity 0.6581 NPC318154
Remote Similarity 0.6579 NPC26244
Remote Similarity 0.6579 NPC3371
Remote Similarity 0.6577 NPC471307
Remote Similarity 0.6577 NPC78041
Remote Similarity 0.6577 NPC242240
Remote Similarity 0.6577 NPC258219
Remote Similarity 0.6577 NPC74936
Remote Similarity 0.6577 NPC177420
Remote Similarity 0.6577 NPC280347
Remote Similarity 0.6577 NPC316108
Remote Similarity 0.6577 NPC209764
Remote Similarity 0.6577 NPC318325
Remote Similarity 0.6577 NPC159178
Remote Similarity 0.6577 NPC141139
Remote Similarity 0.6577 NPC121872
Remote Similarity 0.6577 NPC123273
Remote Similarity 0.6574 NPC99482
Remote Similarity 0.6574 NPC3210
Remote Similarity 0.6565 NPC171372
Remote Similarity 0.656 NPC317254
Remote Similarity 0.6555 NPC243601
Remote Similarity 0.6552 NPC92730
Remote Similarity 0.6549 NPC271440
Remote Similarity 0.6549 NPC55903
Remote Similarity 0.6542 NPC146703
Remote Similarity 0.6541 NPC469666
Remote Similarity 0.6538 NPC224544
Remote Similarity 0.6532 NPC1986
Remote Similarity 0.6532 NPC474544
Remote Similarity 0.6529 NPC306295
Remote Similarity 0.6525 NPC168829
Remote Similarity 0.6522 NPC259512
Remote Similarity 0.6522 NPC312132
Remote Similarity 0.6519 NPC257390
Remote Similarity 0.6518 NPC55561
Remote Similarity 0.6515 NPC278097

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  311.22
ALogP  -2.1749
MLogP  3.55
XLogP  5.543
HDA  2
HBD  1
Rotatable Bonds  6
TPSA  23.47
RO5 Violation  1