Drug Information

Drug ID:  NPD3477
Drug Name:  Aqw051
Molecular Formula:  C19H22N2O
Canonical SMILES:  Cc1ccc(cc1)c1ccc(cn1)OC1CN2CCC1CC2
Standard InCHI:  InChI=1S/C19H22N2O/c1-14-2-4-15(5-3-14)18-7-6-17(12-20-18)22-19-13-21-10-8-16(19)9-11-21/h2-7,12,16,19H,8-11,13H2,1H3
Standard InCHIKey:  NPDLTEZXGWRMLQ-UHFFFAOYSA-N
Max Developmental Stage:  Phase 2
Max Developmental Stage Source:  ChEMBL

  Structural Similarity Between NPASS Natural Products and NPD3477

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 0.8632 NPC329708
High Similarity 0.8632 NPC47059
High Similarity 0.8632 NPC274291
High Similarity 0.8632 NPC264166
High Similarity 0.8632 NPC118832
High Similarity 0.8632 NPC165349
Intermediate Similarity 0.8132 NPC150048
Intermediate Similarity 0.8132 NPC203754
Intermediate Similarity 0.8073 NPC267928
Intermediate Similarity 0.799 NPC476582
Intermediate Similarity 0.799 NPC4071
Intermediate Similarity 0.799 NPC476578
Intermediate Similarity 0.7989 NPC118511
Intermediate Similarity 0.7949 NPC19872
Intermediate Similarity 0.7933 NPC177404
Intermediate Similarity 0.7919 NPC475774
Intermediate Similarity 0.7879 NPC16452
Intermediate Similarity 0.7879 NPC36229
Intermediate Similarity 0.7879 NPC476581
Intermediate Similarity 0.7861 NPC290689
Intermediate Similarity 0.785 NPC287208
Intermediate Similarity 0.7839 NPC472111
Intermediate Similarity 0.7831 NPC20249
Intermediate Similarity 0.7828 NPC245816
Intermediate Similarity 0.7828 NPC476138
Intermediate Similarity 0.7806 NPC287437
Intermediate Similarity 0.7797 NPC26872
Intermediate Similarity 0.7788 NPC216612
Intermediate Similarity 0.7773 NPC314954
Intermediate Similarity 0.7772 NPC133140
Intermediate Similarity 0.7772 NPC195268
Intermediate Similarity 0.7766 NPC219963
Intermediate Similarity 0.7765 NPC26850
Intermediate Similarity 0.7727 NPC31930
Intermediate Similarity 0.772 NPC92111
Intermediate Similarity 0.7717 NPC476518
Intermediate Similarity 0.7711 NPC313189
Intermediate Similarity 0.7696 NPC26679
Intermediate Similarity 0.7676 NPC14651
Intermediate Similarity 0.7676 NPC121658
Intermediate Similarity 0.7672 NPC161887
Intermediate Similarity 0.7672 NPC470474
Intermediate Similarity 0.7672 NPC266551
Intermediate Similarity 0.7668 NPC76748
Intermediate Similarity 0.7664 NPC469554
Intermediate Similarity 0.7659 NPC476287
Intermediate Similarity 0.7653 NPC473053
Intermediate Similarity 0.7641 NPC226202
Intermediate Similarity 0.7641 NPC289786
Intermediate Similarity 0.7634 NPC111624
Intermediate Similarity 0.7622 NPC314940
Intermediate Similarity 0.7622 NPC473764
Intermediate Similarity 0.7617 NPC296527
Intermediate Similarity 0.7612 NPC285558
Intermediate Similarity 0.761 NPC202605
Intermediate Similarity 0.761 NPC53069
Intermediate Similarity 0.761 NPC112206
Intermediate Similarity 0.761 NPC296482
Intermediate Similarity 0.761 NPC202768
Intermediate Similarity 0.7592 NPC284559
Intermediate Similarity 0.7581 NPC101543
Intermediate Similarity 0.7577 NPC3715
Intermediate Similarity 0.7574 NPC470164
Intermediate Similarity 0.7574 NPC323345
Intermediate Similarity 0.7561 NPC208284
Intermediate Similarity 0.7551 NPC307963
Intermediate Similarity 0.7549 NPC469589
Intermediate Similarity 0.7549 NPC185782
Intermediate Similarity 0.7546 NPC180504
Intermediate Similarity 0.7541 NPC124542
Intermediate Similarity 0.7541 NPC471177
Intermediate Similarity 0.7541 NPC59779
Intermediate Similarity 0.7537 NPC135549
Intermediate Similarity 0.7513 NPC283152
Intermediate Similarity 0.7512 NPC123976
Intermediate Similarity 0.7512 NPC167860
Intermediate Similarity 0.75 NPC176538
Intermediate Similarity 0.75 NPC329793
Intermediate Similarity 0.75 NPC477019
Intermediate Similarity 0.75 NPC288349
Intermediate Similarity 0.75 NPC315957
Intermediate Similarity 0.75 NPC312872
Intermediate Similarity 0.7459 NPC471178
Intermediate Similarity 0.744 NPC171409
Intermediate Similarity 0.744 NPC96405
Intermediate Similarity 0.7435 NPC168486
Intermediate Similarity 0.7435 NPC222592
Intermediate Similarity 0.7415 NPC82548
Intermediate Similarity 0.7415 NPC477111
Intermediate Similarity 0.7413 NPC234197
Intermediate Similarity 0.7399 NPC472434
Intermediate Similarity 0.7396 NPC118776
Intermediate Similarity 0.7394 NPC252590
Intermediate Similarity 0.7387 NPC251090
Intermediate Similarity 0.7385 NPC255800
Intermediate Similarity 0.7385 NPC96584
Intermediate Similarity 0.7382 NPC472168
Intermediate Similarity 0.7376 NPC232727
Intermediate Similarity 0.7374 NPC84853
Intermediate Similarity 0.7374 NPC198673
Intermediate Similarity 0.7371 NPC42591
Intermediate Similarity 0.7356 NPC94157
Intermediate Similarity 0.7356 NPC264176
Intermediate Similarity 0.7356 NPC472098
Intermediate Similarity 0.7346 NPC314270
Intermediate Similarity 0.7343 NPC470020
Intermediate Similarity 0.7333 NPC470799
Intermediate Similarity 0.7333 NPC8022
Intermediate Similarity 0.7321 NPC162530
Intermediate Similarity 0.7321 NPC469592
Intermediate Similarity 0.7321 NPC271215
Intermediate Similarity 0.7321 NPC149471
Intermediate Similarity 0.7321 NPC471080
Intermediate Similarity 0.732 NPC284678
Intermediate Similarity 0.7317 NPC477113
Intermediate Similarity 0.7313 NPC168911
Intermediate Similarity 0.7311 NPC213530
Intermediate Similarity 0.7311 NPC193267
Intermediate Similarity 0.7306 NPC141053
Intermediate Similarity 0.73 NPC13880
Intermediate Similarity 0.7296 NPC66083
Intermediate Similarity 0.7295 NPC174672
Intermediate Similarity 0.7295 NPC174758
Intermediate Similarity 0.7277 NPC288943
Intermediate Similarity 0.7277 NPC472099
Intermediate Similarity 0.7273 NPC251160
Intermediate Similarity 0.726 NPC188420
Intermediate Similarity 0.7251 NPC477110
Intermediate Similarity 0.7246 NPC475910
Intermediate Similarity 0.7241 NPC329747
Intermediate Similarity 0.7241 NPC11017
Intermediate Similarity 0.724 NPC211997
Intermediate Similarity 0.724 NPC295228
Intermediate Similarity 0.723 NPC292958
Intermediate Similarity 0.7228 NPC239954
Intermediate Similarity 0.7217 NPC472435
Intermediate Similarity 0.7217 NPC473513
Intermediate Similarity 0.7215 NPC201508
Intermediate Similarity 0.7208 NPC74382
Intermediate Similarity 0.7208 NPC206251
Intermediate Similarity 0.72 NPC79293
Intermediate Similarity 0.72 NPC279401
Intermediate Similarity 0.7198 NPC193238
Intermediate Similarity 0.7196 NPC132642
Intermediate Similarity 0.7195 NPC24802
Intermediate Similarity 0.7189 NPC470018
Intermediate Similarity 0.7188 NPC134586
Intermediate Similarity 0.7183 NPC23614
Intermediate Similarity 0.7183 NPC469594
Intermediate Similarity 0.7183 NPC173080
Intermediate Similarity 0.7183 NPC100079
Intermediate Similarity 0.7182 NPC49547
Intermediate Similarity 0.7179 NPC176127
Intermediate Similarity 0.7176 NPC322482
Intermediate Similarity 0.7172 NPC110741
Intermediate Similarity 0.7172 NPC242928
Intermediate Similarity 0.7172 NPC224327
Intermediate Similarity 0.7163 NPC476465
Intermediate Similarity 0.7157 NPC204385
Intermediate Similarity 0.7157 NPC249040
Intermediate Similarity 0.7156 NPC72905
Intermediate Similarity 0.7156 NPC74575
Intermediate Similarity 0.715 NPC17565
Intermediate Similarity 0.7149 NPC329631
Intermediate Similarity 0.7143 NPC320394
Intermediate Similarity 0.7136 NPC134079
Intermediate Similarity 0.7129 NPC194967
Intermediate Similarity 0.7128 NPC474798
Intermediate Similarity 0.7128 NPC206201
Intermediate Similarity 0.7124 NPC472436
Intermediate Similarity 0.7123 NPC235076
Intermediate Similarity 0.7123 NPC470549
Intermediate Similarity 0.7122 NPC470586
Intermediate Similarity 0.7114 NPC329541
Intermediate Similarity 0.7112 NPC25899
Intermediate Similarity 0.7108 NPC476167
Intermediate Similarity 0.7105 NPC44161
Intermediate Similarity 0.7103 NPC473822
Intermediate Similarity 0.7101 NPC470500
Intermediate Similarity 0.7098 NPC224764
Intermediate Similarity 0.7097 NPC65277
Intermediate Similarity 0.7095 NPC5145
Intermediate Similarity 0.7094 NPC224928
Intermediate Similarity 0.7089 NPC274982
Intermediate Similarity 0.7089 NPC170114
Intermediate Similarity 0.7083 NPC310118
Intermediate Similarity 0.7081 NPC470931
Intermediate Similarity 0.7078 NPC186351
Intermediate Similarity 0.7075 NPC266931
Intermediate Similarity 0.7075 NPC236668
Intermediate Similarity 0.7073 NPC121772
Intermediate Similarity 0.7071 NPC171171
Intermediate Similarity 0.707 NPC46451
Intermediate Similarity 0.7067 NPC474145
Intermediate Similarity 0.7067 NPC475841
Intermediate Similarity 0.7059 NPC84508
Intermediate Similarity 0.7059 NPC475253
Intermediate Similarity 0.7059 NPC192315
Intermediate Similarity 0.7056 NPC304926
Intermediate Similarity 0.7056 NPC476041

Drug Structure

External Identifiers

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

Drug Properties

Molecular Weight  294.17
ALogP  -0.3966
MLogP  3.22
XLogP  4.679
HDA  2
HBD  0
Rotatable Bonds  4
TPSA  25.36
RO5 Violation  0