Drug Information

Drug ID:  NPD3170
Drug Name:  
Molecular Formula:  C18H30N2O2
Canonical SMILES:  CCCCN(CCCC)CCCOC(=O)c1ccc(cc1)N
Standard InCHI:  InChI=1S/C18H30N2O2/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16/h8-11H,3-7,12-15,19H2,1-2H3
Standard InCHIKey:  HQFWVSGBVLEQGA-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD3170

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 0.9545 NPC319645
Intermediate Similarity 0.8309 NPC122235
Intermediate Similarity 0.8284 NPC226794
Intermediate Similarity 0.8214 NPC173295
Intermediate Similarity 0.8188 NPC314098
Intermediate Similarity 0.812 NPC150323
Intermediate Similarity 0.7956 NPC205946
Intermediate Similarity 0.7862 NPC242933
Intermediate Similarity 0.7785 NPC470971
Intermediate Similarity 0.7697 NPC314223
Intermediate Similarity 0.7639 NPC253476
Intermediate Similarity 0.7609 NPC26285
Intermediate Similarity 0.75 NPC472243
Intermediate Similarity 0.7483 NPC281104
Intermediate Similarity 0.7464 NPC130931
Intermediate Similarity 0.745 NPC43477
Intermediate Similarity 0.7447 NPC470343
Intermediate Similarity 0.7447 NPC472244
Intermediate Similarity 0.7445 NPC229353
Intermediate Similarity 0.74 NPC472241
Intermediate Similarity 0.7394 NPC322433
Intermediate Similarity 0.7394 NPC314278
Intermediate Similarity 0.7342 NPC61013
Intermediate Similarity 0.7342 NPC123241
Intermediate Similarity 0.7333 NPC57051
Intermediate Similarity 0.7325 NPC161827
Intermediate Similarity 0.7296 NPC193410
Intermediate Similarity 0.7262 NPC288305
Intermediate Similarity 0.7255 NPC472242
Intermediate Similarity 0.725 NPC248117
Intermediate Similarity 0.7241 NPC472245
Intermediate Similarity 0.7237 NPC308197
Intermediate Similarity 0.7205 NPC293458
Intermediate Similarity 0.719 NPC190945
Intermediate Similarity 0.7188 NPC63210
Intermediate Similarity 0.7188 NPC148468
Intermediate Similarity 0.7188 NPC243673
Intermediate Similarity 0.7188 NPC310403
Intermediate Similarity 0.7188 NPC263709
Intermediate Similarity 0.7188 NPC97380
Intermediate Similarity 0.7186 NPC186669
Intermediate Similarity 0.7176 NPC38262
Intermediate Similarity 0.7171 NPC301702
Intermediate Similarity 0.716 NPC189116
Intermediate Similarity 0.7143 NPC474058
Intermediate Similarity 0.7143 NPC226143
Intermediate Similarity 0.7133 NPC287358
Intermediate Similarity 0.7097 NPC259678
Intermediate Similarity 0.7086 NPC181527
Intermediate Similarity 0.7063 NPC63370
Intermediate Similarity 0.7063 NPC36836
Intermediate Similarity 0.7055 NPC150863
Intermediate Similarity 0.7054 NPC78701
Intermediate Similarity 0.7054 NPC35448
Intermediate Similarity 0.7034 NPC250476
Intermediate Similarity 0.703 NPC224970
Intermediate Similarity 0.703 NPC223595
Intermediate Similarity 0.703 NPC167724
Intermediate Similarity 0.7024 NPC264482
Intermediate Similarity 0.7024 NPC203202
Intermediate Similarity 0.7019 NPC211525
Intermediate Similarity 0.7019 NPC153694
Intermediate Similarity 0.7018 NPC470317
Intermediate Similarity 0.7012 NPC52059
Intermediate Similarity 0.7012 NPC470069
Intermediate Similarity 0.7007 NPC280807
Intermediate Similarity 0.7007 NPC314431
Intermediate Similarity 0.7006 NPC242000
Intermediate Similarity 0.7 NPC146351
Remote Similarity 0.6987 NPC478039
Remote Similarity 0.6977 NPC92754
Remote Similarity 0.6977 NPC471742
Remote Similarity 0.6977 NPC276775
Remote Similarity 0.6977 NPC249912
Remote Similarity 0.697 NPC301943
Remote Similarity 0.697 NPC474365
Remote Similarity 0.6968 NPC314186
Remote Similarity 0.6959 NPC231382
Remote Similarity 0.6943 NPC315829
Remote Similarity 0.6941 NPC6974
Remote Similarity 0.6941 NPC218594
Remote Similarity 0.6941 NPC99043
Remote Similarity 0.6932 NPC22476
Remote Similarity 0.6923 NPC225060
Remote Similarity 0.6919 NPC159963
Remote Similarity 0.6914 NPC316405
Remote Similarity 0.6879 NPC97584
Remote Similarity 0.6871 NPC36495
Remote Similarity 0.6871 NPC307437
Remote Similarity 0.6871 NPC58827
Remote Similarity 0.6871 NPC72473
Remote Similarity 0.687 NPC325497
Remote Similarity 0.6855 NPC473329
Remote Similarity 0.6839 NPC322621
Remote Similarity 0.6836 NPC203628
Remote Similarity 0.6829 NPC27904
Remote Similarity 0.6822 NPC130398
Remote Similarity 0.6818 NPC70624
Remote Similarity 0.6807 NPC299582
Remote Similarity 0.6805 NPC298851
Remote Similarity 0.6805 NPC181138
Remote Similarity 0.6805 NPC191310
Remote Similarity 0.6805 NPC210415
Remote Similarity 0.6805 NPC21752
Remote Similarity 0.6805 NPC276993
Remote Similarity 0.6805 NPC293255
Remote Similarity 0.68 NPC160381
Remote Similarity 0.6797 NPC159722
Remote Similarity 0.678 NPC5630
Remote Similarity 0.678 NPC313293
Remote Similarity 0.6778 NPC303214
Remote Similarity 0.6776 NPC232600
Remote Similarity 0.6766 NPC472115
Remote Similarity 0.6766 NPC471652
Remote Similarity 0.6766 NPC472114
Remote Similarity 0.6761 NPC14994
Remote Similarity 0.6746 NPC249614
Remote Similarity 0.6744 NPC321211
Remote Similarity 0.6742 NPC118343
Remote Similarity 0.6742 NPC25401
Remote Similarity 0.6741 NPC269457
Remote Similarity 0.6727 NPC93653
Remote Similarity 0.6715 NPC469636
Remote Similarity 0.6715 NPC10251
Remote Similarity 0.6715 NPC17417
Remote Similarity 0.6711 NPC266425
Remote Similarity 0.6706 NPC73280
Remote Similarity 0.6692 NPC42211
Remote Similarity 0.6687 NPC472121
Remote Similarity 0.6687 NPC199737
Remote Similarity 0.6687 NPC99632
Remote Similarity 0.6687 NPC35510
Remote Similarity 0.6687 NPC282339
Remote Similarity 0.6687 NPC253667
Remote Similarity 0.6667 NPC214067
Remote Similarity 0.6667 NPC329338
Remote Similarity 0.6667 NPC196246
Remote Similarity 0.6667 NPC469726
Remote Similarity 0.6667 NPC278887
Remote Similarity 0.6667 NPC251854
Remote Similarity 0.6667 NPC285394
Remote Similarity 0.6667 NPC182131
Remote Similarity 0.6667 NPC177684
Remote Similarity 0.6667 NPC93084
Remote Similarity 0.6667 NPC291962
Remote Similarity 0.6648 NPC28510
Remote Similarity 0.6648 NPC473007
Remote Similarity 0.6648 NPC49184
Remote Similarity 0.6647 NPC313757
Remote Similarity 0.6647 NPC318183
Remote Similarity 0.6647 NPC292265
Remote Similarity 0.6646 NPC214239
Remote Similarity 0.6642 NPC172170
Remote Similarity 0.6642 NPC188895
Remote Similarity 0.6642 NPC56493
Remote Similarity 0.6628 NPC84347
Remote Similarity 0.6622 NPC325013
Remote Similarity 0.6621 NPC179605
Remote Similarity 0.6621 NPC279385
Remote Similarity 0.6621 NPC112373
Remote Similarity 0.6621 NPC161956
Remote Similarity 0.6621 NPC258531
Remote Similarity 0.6619 NPC476003
Remote Similarity 0.6619 NPC1082
Remote Similarity 0.6619 NPC305912
Remote Similarity 0.6618 NPC476198
Remote Similarity 0.6617 NPC203925
Remote Similarity 0.6608 NPC177261
Remote Similarity 0.6594 NPC474364
Remote Similarity 0.6585 NPC473297
Remote Similarity 0.6582 NPC478040
Remote Similarity 0.6581 NPC316574
Remote Similarity 0.6578 NPC268077
Remote Similarity 0.6578 NPC87714
Remote Similarity 0.6577 NPC65310
Remote Similarity 0.6576 NPC123395
Remote Similarity 0.6575 NPC103292
Remote Similarity 0.6571 NPC28368
Remote Similarity 0.6571 NPC82899
Remote Similarity 0.6571 NPC270699
Remote Similarity 0.6569 NPC119271
Remote Similarity 0.6568 NPC279527
Remote Similarity 0.6568 NPC214960
Remote Similarity 0.6561 NPC316202
Remote Similarity 0.6556 NPC477432
Remote Similarity 0.6547 NPC158854
Remote Similarity 0.6547 NPC174099
Remote Similarity 0.6543 NPC144691
Remote Similarity 0.6538 NPC198205
Remote Similarity 0.6538 NPC21483
Remote Similarity 0.6538 NPC135950
Remote Similarity 0.6525 NPC128368
Remote Similarity 0.6524 NPC478076
Remote Similarity 0.6524 NPC107287
Remote Similarity 0.6524 NPC207971
Remote Similarity 0.6522 NPC100863
Remote Similarity 0.651 NPC474926
Remote Similarity 0.6503 NPC245916
Remote Similarity 0.65 NPC473008
Remote Similarity 0.65 NPC474157

Drug Structure

External Identifiers

TTD   DIB011567
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  306.23
ALogP  -2.1188
MLogP  3
XLogP  4.235
HDA  4
HBD  1
Rotatable Bonds  15
TPSA  55.56
RO5 Violation  1