Drug Information

Drug ID:  NPD2670
Drug Name:  Padimate O
Molecular Formula:  C17H27NO2
Canonical SMILES:  CCCCC(COC(=O)c1ccc(cc1)N(C)C)CC
Standard InCHI:  InChI=1S/C17H27NO2/c1-5-7-8-14(6-2)13-20-17(19)15-9-11-16(12-10-15)18(3)4/h9-12,14H,5-8,13H2,1-4H3
Standard InCHIKey:  WYWZRNAHINYAEF-UHFFFAOYSA-N
Max Developmental Stage:  Approved
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD2670

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 0.8939 NPC314098
High Similarity 0.8759 NPC319645
Intermediate Similarity 0.8273 NPC173295
Intermediate Similarity 0.8148 NPC470343
Intermediate Similarity 0.8148 NPC472244
Intermediate Similarity 0.8065 NPC470971
Intermediate Similarity 0.8042 NPC242933
Intermediate Similarity 0.8015 NPC205946
Intermediate Similarity 0.7923 NPC57051
Intermediate Similarity 0.7842 NPC122235
Intermediate Similarity 0.781 NPC226794
Intermediate Similarity 0.7778 NPC150323
Intermediate Similarity 0.7692 NPC253476
Intermediate Similarity 0.7671 NPC472243
Intermediate Similarity 0.7635 NPC308197
Intermediate Similarity 0.7589 NPC150863
Intermediate Similarity 0.7574 NPC226143
Intermediate Similarity 0.7535 NPC280807
Intermediate Similarity 0.7535 NPC472245
Intermediate Similarity 0.7535 NPC314431
Intermediate Similarity 0.7516 NPC474058
Intermediate Similarity 0.7516 NPC314223
Intermediate Similarity 0.75 NPC242000
Intermediate Similarity 0.7467 NPC314186
Intermediate Similarity 0.745 NPC472241
Intermediate Similarity 0.7447 NPC314278
Intermediate Similarity 0.7415 NPC281104
Intermediate Similarity 0.741 NPC288305
Intermediate Similarity 0.7368 NPC478039
Intermediate Similarity 0.7342 NPC193410
Intermediate Similarity 0.7324 NPC250476
Intermediate Similarity 0.7303 NPC472242
Intermediate Similarity 0.7296 NPC248117
Intermediate Similarity 0.7286 NPC26285
Intermediate Similarity 0.7278 NPC123241
Intermediate Similarity 0.7278 NPC61013
Intermediate Similarity 0.7267 NPC43477
Intermediate Similarity 0.7241 NPC231382
Intermediate Similarity 0.7188 NPC146351
Intermediate Similarity 0.716 NPC299582
Intermediate Similarity 0.7152 NPC161827
Intermediate Similarity 0.7152 NPC191310
Intermediate Similarity 0.7143 NPC293458
Intermediate Similarity 0.7143 NPC253667
Intermediate Similarity 0.7143 NPC35510
Intermediate Similarity 0.7122 NPC229353
Intermediate Similarity 0.7109 NPC78701
Intermediate Similarity 0.7109 NPC225060
Intermediate Similarity 0.7109 NPC35448
Intermediate Similarity 0.7081 NPC93653
Intermediate Similarity 0.7076 NPC322621
Intermediate Similarity 0.7073 NPC167724
Intermediate Similarity 0.7073 NPC224970
Intermediate Similarity 0.7073 NPC223595
Intermediate Similarity 0.7071 NPC177684
Intermediate Similarity 0.7071 NPC291962
Intermediate Similarity 0.7067 NPC287358
Intermediate Similarity 0.7066 NPC84347
Intermediate Similarity 0.7031 NPC92754
Intermediate Similarity 0.7031 NPC276775
Intermediate Similarity 0.7031 NPC249912
Intermediate Similarity 0.7024 NPC186669
Intermediate Similarity 0.7023 NPC474365
Intermediate Similarity 0.7023 NPC301943
Intermediate Similarity 0.7021 NPC130931
Intermediate Similarity 0.7021 NPC112373
Intermediate Similarity 0.7021 NPC161956
Intermediate Similarity 0.7021 NPC258531
Intermediate Similarity 0.7019 NPC263709
Intermediate Similarity 0.7019 NPC310403
Intermediate Similarity 0.7019 NPC97380
Intermediate Similarity 0.7019 NPC148468
Intermediate Similarity 0.7019 NPC243673
Intermediate Similarity 0.7019 NPC63210
Intermediate Similarity 0.7012 NPC472114
Intermediate Similarity 0.7012 NPC472115
Intermediate Similarity 0.7006 NPC144691
Remote Similarity 0.6988 NPC249614
Remote Similarity 0.6987 NPC315829
Remote Similarity 0.6982 NPC321211
Remote Similarity 0.6975 NPC27904
Remote Similarity 0.6964 NPC264482
Remote Similarity 0.6964 NPC203202
Remote Similarity 0.6948 NPC478040
Remote Similarity 0.6936 NPC160381
Remote Similarity 0.6923 NPC325497
Remote Similarity 0.6914 NPC36495
Remote Similarity 0.689 NPC313757
Remote Similarity 0.6886 NPC318183
Remote Similarity 0.6882 NPC218594
Remote Similarity 0.6882 NPC99043
Remote Similarity 0.6882 NPC6974
Remote Similarity 0.6875 NPC130398
Remote Similarity 0.687 NPC70624
Remote Similarity 0.6857 NPC316405
Remote Similarity 0.6853 NPC257490
Remote Similarity 0.6852 NPC211525
Remote Similarity 0.6852 NPC153694
Remote Similarity 0.6849 NPC322433
Remote Similarity 0.6848 NPC52059
Remote Similarity 0.6848 NPC470069
Remote Similarity 0.6842 NPC38262
Remote Similarity 0.6838 NPC196246
Remote Similarity 0.6838 NPC214067
Remote Similarity 0.6831 NPC207971
Remote Similarity 0.6829 NPC199737
Remote Similarity 0.6821 NPC471742
Remote Similarity 0.6818 NPC45389
Remote Similarity 0.68 NPC21425
Remote Similarity 0.6795 NPC190945
Remote Similarity 0.6794 NPC118343
Remote Similarity 0.6793 NPC268077
Remote Similarity 0.6791 NPC269457
Remote Similarity 0.6788 NPC305912
Remote Similarity 0.6788 NPC1082
Remote Similarity 0.6782 NPC49184
Remote Similarity 0.678 NPC22476
Remote Similarity 0.6774 NPC301702
Remote Similarity 0.677 NPC478076
Remote Similarity 0.677 NPC107287
Remote Similarity 0.6765 NPC10251
Remote Similarity 0.6765 NPC469636
Remote Similarity 0.6765 NPC17417
Remote Similarity 0.6763 NPC470317
Remote Similarity 0.6763 NPC159963
Remote Similarity 0.6746 NPC73280
Remote Similarity 0.6746 NPC307640
Remote Similarity 0.6744 NPC85613
Remote Similarity 0.6744 NPC5167
Remote Similarity 0.6742 NPC42211
Remote Similarity 0.674 NPC71124
Remote Similarity 0.6739 NPC82899
Remote Similarity 0.6739 NPC270699
Remote Similarity 0.6726 NPC469915
Remote Similarity 0.6724 NPC97584
Remote Similarity 0.6723 NPC5630
Remote Similarity 0.6715 NPC93084
Remote Similarity 0.6715 NPC251854
Remote Similarity 0.6707 NPC471652
Remote Similarity 0.6706 NPC469726
Remote Similarity 0.6706 NPC329338
Remote Similarity 0.6703 NPC123395
Remote Similarity 0.6692 NPC188895
Remote Similarity 0.6691 NPC56493
Remote Similarity 0.6691 NPC128368
Remote Similarity 0.669 NPC39818
Remote Similarity 0.6687 NPC63370
Remote Similarity 0.6687 NPC36836
Remote Similarity 0.6687 NPC29285
Remote Similarity 0.6687 NPC204867
Remote Similarity 0.6687 NPC473329
Remote Similarity 0.6685 NPC25401
Remote Similarity 0.6685 NPC203628
Remote Similarity 0.6667 NPC225319
Remote Similarity 0.6667 NPC203925
Remote Similarity 0.6667 NPC21483
Remote Similarity 0.6667 NPC476198
Remote Similarity 0.6667 NPC279385
Remote Similarity 0.6667 NPC476003
Remote Similarity 0.6667 NPC179605
Remote Similarity 0.6667 NPC198205
Remote Similarity 0.6648 NPC194040
Remote Similarity 0.6647 NPC21752
Remote Similarity 0.6647 NPC476425
Remote Similarity 0.6647 NPC181138
Remote Similarity 0.6647 NPC210415
Remote Similarity 0.6647 NPC298851
Remote Similarity 0.6647 NPC276993
Remote Similarity 0.6647 NPC293255
Remote Similarity 0.6647 NPC177261
Remote Similarity 0.6646 NPC113946
Remote Similarity 0.6645 NPC266425
Remote Similarity 0.6643 NPC153053
Remote Similarity 0.6642 NPC474364
Remote Similarity 0.663 NPC232600
Remote Similarity 0.663 NPC303214
Remote Similarity 0.6627 NPC99632
Remote Similarity 0.6627 NPC282339
Remote Similarity 0.6621 NPC103292
Remote Similarity 0.6618 NPC119271
Remote Similarity 0.6611 NPC471825
Remote Similarity 0.6611 NPC254957
Remote Similarity 0.661 NPC14994
Remote Similarity 0.661 NPC473815
Remote Similarity 0.6606 NPC301163
Remote Similarity 0.6599 NPC317758
Remote Similarity 0.6596 NPC210092
Remote Similarity 0.6594 NPC174099
Remote Similarity 0.6593 NPC198390
Remote Similarity 0.6592 NPC1820
Remote Similarity 0.6588 NPC112336
Remote Similarity 0.6588 NPC474814
Remote Similarity 0.6588 NPC292265
Remote Similarity 0.6587 NPC189116
Remote Similarity 0.6584 NPC214239
Remote Similarity 0.6581 NPC181527
Remote Similarity 0.6581 NPC315224
Remote Similarity 0.6568 NPC470894
Remote Similarity 0.6566 NPC315368
Remote Similarity 0.6566 NPC320064

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  277.20
ALogP  -0.6736
MLogP  3
XLogP  5.307
HDA  3
HBD  0
Rotatable Bonds  13
TPSA  29.54
RO5 Violation  1