Drug Information

Drug ID:  NPD7142
Drug Name:  AWD-160-275; AWD-23-111
Molecular Formula:  C28H44N4O4
Canonical SMILES:  CCN(CCCN(C(=O)c1ccc(cc1)N(=O)=O)CC(=O)N(C1CCCCC1)C1CCCCC1)CC
Standard InCHI:  InChI=1S/C28H44N4O4/c1-3-29(4-2)20-11-21-30(28(34)23-16-18-26(19-17-23)32(35)36)22-27(33)31(24-12-7-5-8-13-24)25-14-9-6-10-15-25/h16-19,24-25H,3-15,20-22H2,1-2H3
Standard InCHIKey:  ZZRUNKWLFOCIGS-UHFFFAOYSA-N
Max Developmental Stage:  Discontinued
Max Developmental Stage Source:  TTD

  Structural Similarity Between NPASS Natural Products and NPD7142

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 0.7518 NPC322433
Intermediate Similarity 0.7518 NPC226143
Intermediate Similarity 0.7206 NPC57051
Intermediate Similarity 0.7162 NPC316104
Intermediate Similarity 0.7162 NPC162417
Intermediate Similarity 0.7123 NPC314431
Intermediate Similarity 0.7123 NPC280807
Intermediate Similarity 0.7055 NPC328270
Remote Similarity 0.6993 NPC471164
Remote Similarity 0.6993 NPC39818
Remote Similarity 0.6992 NPC473418
Remote Similarity 0.6982 NPC14849
Remote Similarity 0.6972 NPC161956
Remote Similarity 0.6972 NPC258531
Remote Similarity 0.6972 NPC112373
Remote Similarity 0.6966 NPC470343
Remote Similarity 0.6966 NPC79698
Remote Similarity 0.6966 NPC472244
Remote Similarity 0.6939 NPC150863
Remote Similarity 0.6923 NPC257490
Remote Similarity 0.6901 NPC291962
Remote Similarity 0.6901 NPC177684
Remote Similarity 0.6892 NPC472245
Remote Similarity 0.6871 NPC154478
Remote Similarity 0.6864 NPC328611
Remote Similarity 0.6863 NPC83214
Remote Similarity 0.6853 NPC27833
Remote Similarity 0.6852 NPC84317
Remote Similarity 0.6842 NPC182057
Remote Similarity 0.6842 NPC131450
Remote Similarity 0.6842 NPC147298
Remote Similarity 0.6813 NPC66936
Remote Similarity 0.68 NPC207428
Remote Similarity 0.6781 NPC192533
Remote Similarity 0.6776 NPC300299
Remote Similarity 0.6753 NPC469560
Remote Similarity 0.6747 NPC189116
Remote Similarity 0.6733 NPC126458
Remote Similarity 0.6689 NPC473962
Remote Similarity 0.6689 NPC314278
Remote Similarity 0.6688 NPC122553
Remote Similarity 0.6667 NPC478039
Remote Similarity 0.6667 NPC248862
Remote Similarity 0.6625 NPC254798
Remote Similarity 0.6606 NPC222029
Remote Similarity 0.6606 NPC104345
Remote Similarity 0.6603 NPC207554
Remote Similarity 0.6597 NPC220698
Remote Similarity 0.6582 NPC478040
Remote Similarity 0.6575 NPC103292
Remote Similarity 0.6573 NPC239357
Remote Similarity 0.6566 NPC276085
Remote Similarity 0.6564 NPC117032
Remote Similarity 0.6561 NPC2823
Remote Similarity 0.6561 NPC470301
Remote Similarity 0.6556 NPC187231
Remote Similarity 0.6545 NPC36836
Remote Similarity 0.6545 NPC63370
Remote Similarity 0.6544 NPC38262
Remote Similarity 0.6541 NPC314186
Remote Similarity 0.6536 NPC130655
Remote Similarity 0.6519 NPC291610
Remote Similarity 0.6513 NPC314098
Remote Similarity 0.6507 NPC179605
Remote Similarity 0.6507 NPC279385
Remote Similarity 0.65 NPC472242
Remote Similarity 0.6497 NPC472243
Remote Similarity 0.6496 NPC167336
Remote Similarity 0.649 NPC209389
Remote Similarity 0.649 NPC473322
Remote Similarity 0.6486 NPC254698
Remote Similarity 0.6478 NPC469537
Remote Similarity 0.6477 NPC288305
Remote Similarity 0.6456 NPC471574
Remote Similarity 0.645 NPC138293
Remote Similarity 0.645 NPC113056
Remote Similarity 0.6438 NPC470822
Remote Similarity 0.6433 NPC475248
Remote Similarity 0.6433 NPC319645
Remote Similarity 0.6433 NPC63047
Remote Similarity 0.6416 NPC242269
Remote Similarity 0.641 NPC471123
Remote Similarity 0.6403 NPC55529
Remote Similarity 0.6392 NPC130251
Remote Similarity 0.6387 NPC474473
Remote Similarity 0.6369 NPC133003
Remote Similarity 0.6358 NPC324445
Remote Similarity 0.6358 NPC318183
Remote Similarity 0.6352 NPC301760
Remote Similarity 0.634 NPC179224
Remote Similarity 0.6335 NPC136002
Remote Similarity 0.6335 NPC190945
Remote Similarity 0.6325 NPC295021
Remote Similarity 0.6316 NPC256452
Remote Similarity 0.6316 NPC471130
Remote Similarity 0.6312 NPC472241
Remote Similarity 0.6309 NPC268534
Remote Similarity 0.6301 NPC470545
Remote Similarity 0.6294 NPC35510
Remote Similarity 0.6294 NPC253667
Remote Similarity 0.6289 NPC242933
Remote Similarity 0.6289 NPC315051
Remote Similarity 0.6286 NPC172170
Remote Similarity 0.6286 NPC20322
Remote Similarity 0.6275 NPC111428
Remote Similarity 0.6267 NPC2982
Remote Similarity 0.6259 NPC470546
Remote Similarity 0.6258 NPC53044
Remote Similarity 0.625 NPC75496
Remote Similarity 0.6242 NPC473329
Remote Similarity 0.6237 NPC472540
Remote Similarity 0.6237 NPC470787
Remote Similarity 0.6237 NPC472539
Remote Similarity 0.6235 NPC225319
Remote Similarity 0.6233 NPC470544
Remote Similarity 0.6225 NPC22746
Remote Similarity 0.6213 NPC113946
Remote Similarity 0.6207 NPC472118
Remote Similarity 0.6205 NPC314223
Remote Similarity 0.6203 NPC472542
Remote Similarity 0.6203 NPC472541
Remote Similarity 0.6199 NPC289776
Remote Similarity 0.6199 NPC133470
Remote Similarity 0.6199 NPC88970
Remote Similarity 0.6199 NPC191863
Remote Similarity 0.6194 NPC255447
Remote Similarity 0.6185 NPC279527
Remote Similarity 0.6185 NPC214960
Remote Similarity 0.6184 NPC205946
Remote Similarity 0.6174 NPC200964
Remote Similarity 0.6173 NPC308197
Remote Similarity 0.6171 NPC355
Remote Similarity 0.6164 NPC473573
Remote Similarity 0.6164 NPC287358
Remote Similarity 0.6154 NPC29285
Remote Similarity 0.6154 NPC469536
Remote Similarity 0.6149 NPC316202
Remote Similarity 0.6145 NPC286994
Remote Similarity 0.6144 NPC136453
Remote Similarity 0.6141 NPC471196
Remote Similarity 0.6141 NPC471195
Remote Similarity 0.6118 NPC222466
Remote Similarity 0.6105 NPC469741
Remote Similarity 0.6104 NPC71933
Remote Similarity 0.6104 NPC239990
Remote Similarity 0.6104 NPC152850
Remote Similarity 0.6104 NPC105114
Remote Similarity 0.6104 NPC89923
Remote Similarity 0.6102 NPC470548
Remote Similarity 0.6096 NPC246904
Remote Similarity 0.609 NPC314473
Remote Similarity 0.6089 NPC475094
Remote Similarity 0.6082 NPC473003
Remote Similarity 0.6081 NPC31651
Remote Similarity 0.608 NPC292265
Remote Similarity 0.6078 NPC101719
Remote Similarity 0.6077 NPC470317
Remote Similarity 0.6074 NPC314287
Remote Similarity 0.6071 NPC473002
Remote Similarity 0.6054 NPC218710
Remote Similarity 0.6054 NPC324091
Remote Similarity 0.6054 NPC313293
Remote Similarity 0.6051 NPC40364
Remote Similarity 0.6049 NPC43477
Remote Similarity 0.6049 NPC22082
Remote Similarity 0.6049 NPC186284
Remote Similarity 0.6045 NPC161861
Remote Similarity 0.6032 NPC471199
Remote Similarity 0.6031 NPC17497
Remote Similarity 0.6031 NPC305602
Remote Similarity 0.6028 NPC476198
Remote Similarity 0.6028 NPC313362
Remote Similarity 0.6026 NPC71684
Remote Similarity 0.6026 NPC194562
Remote Similarity 0.6026 NPC200589
Remote Similarity 0.6023 NPC61013
Remote Similarity 0.6023 NPC123241
Remote Similarity 0.6012 NPC243756
Remote Similarity 0.6012 NPC154602
Remote Similarity 0.6011 NPC469529
Remote Similarity 0.6 NPC43755
Remote Similarity 0.6 NPC307437
Remote Similarity 0.6 NPC58827
Remote Similarity 0.6 NPC72473
Remote Similarity 0.6 NPC325599
Remote Similarity 0.5989 NPC470205
Remote Similarity 0.5988 NPC193410
Remote Similarity 0.5988 NPC36495
Remote Similarity 0.5988 NPC242000
Remote Similarity 0.5987 NPC157311
Remote Similarity 0.5987 NPC231382
Remote Similarity 0.5986 NPC33742
Remote Similarity 0.5986 NPC45033
Remote Similarity 0.5976 NPC122106
Remote Similarity 0.5976 NPC285381
Remote Similarity 0.5975 NPC266425
Remote Similarity 0.5974 NPC474926
Remote Similarity 0.5969 NPC106118
Remote Similarity 0.5963 NPC159722
Remote Similarity 0.596 NPC316582

Drug Structure

External Identifiers

TTD   DIB015201; DIB001335
DrugBank  
ChEMBL  
IUPHAR/BPS  
PharmaGKB  
KEGG Drug  
PubChem CID  
ChEBI  
CAS Number  

Drug Properties

Molecular Weight  500.34
ALogP  -3.3383
MLogP  3.66
XLogP  5.879
HDA  5
HBD  0
Rotatable Bonds  17
TPSA  87
RO5 Violation  2