Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)CN1CCCC1 |
MW: | 333.432 |
Fraction sp3: | 0.56 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 81.67 |
cLogP: | 1.0399 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-16
NIM-UNI-ed9fc491-1
0.468
MAR-TRE-fffca54f-96
0.468
MAR-TRE-e86a56b5-63
0.468
NIC-BIO-a68395b7-1
0.468
NIM-UNI-ed9fc491-4
0.466
AAR-POS-d2a4d1df-16
0.465
NIM-UNI-ed9fc491-2
0.463
MAR-TRE-e86a56b5-58
0.460
VOL-CHA-d666e5ae-2
0.453
NIC-BIO-a68395b7-3
0.452
NIC-BIO-a68395b7-5
0.452
NIM-UNI-ed9fc491-3
0.447
NIC-BIO-a68395b7-2
0.434
TRY-UNI-9f475305-11
0.429
NIC-BIO-a68395b7-4
0.423
TRY-UNI-9f475305-10
0.407
MAK-UNK-10799360-26
0.392
MAR-TRE-e86a56b5-47
0.391
MAK-UNK-c44f4be0-7
0.389
MAR-TRE-e86a56b5-31
0.375
VOL-CHA-d666e5ae-3
0.358
MAR-TRE-e86a56b5-98
0.347
MAR-TRE-e86a56b5-56
0.343
MAR-TRE-e86a56b5-62
0.343
MAR-TRE-e86a56b5-45
0.343
MAR-TRE-e86a56b5-81
0.338
SEL-UNI-49ab05bd-6
0.336
VOL-CHA-d666e5ae-5
0.333
MAK-UNK-c44f4be0-10
0.333
MAR-TRE-e86a56b5-19
0.325
MAR-TRE-e86a56b5-66
0.325
VOL-CHA-d666e5ae-1
0.321
MAR-TRE-e86a56b5-36
0.321
MAR-TRE-e86a56b5-46
0.316
MAR-TRE-e86a56b5-69
0.316
MAR-TRE-e86a56b5-55
0.312
MAR-TRE-e86a56b5-73
0.312
MAK-UNK-c44f4be0-11
0.312
MAK-UNK-c44f4be0-14
0.312
MAR-TRE-85681e92-51
0.312
MAR-TRE-e86a56b5-67
0.312
MAR-TRE-e86a56b5-21
0.312
MAR-TRE-e86a56b5-99
0.306
MAR-TRE-e86a56b5-64
0.306
MAK-UNK-c44f4be0-9
0.305
MAR-TRE-85681e92-70
0.303
MAR-TRE-e86a56b5-83
0.301
MAR-TRE-e86a56b5-28
0.300
MAK-UNK-a7992eb3-11
0.298
CHA-KIN-bfe9b535-1
0.297
CHA-KIN-bfe9b535-8
0.297
MAK-UNK-a7992eb3-27
0.297
MAK-UNK-a7992eb3-28
0.297
MAK-UNK-a7992eb3-26
0.295
MAK-UNK-c44f4be0-8
0.293
CHA-KIN-bfe9b535-5
0.292
MAR-TRE-4f39ef4a-25
0.292
SHA-THE-408e7524-23
0.291
NIC-BIO-7d400292-4
0.290
CHA-KIN-bfe9b535-4
0.287
CHA-KIN-bfe9b535-7
0.287
CHA-KIN-bfe9b535-3
0.284
MAK-UNK-c44f4be0-4
0.284
CHA-KIN-bfe9b535-2
0.283
CHA-KIN-bfe9b535-9
0.282
MAR-TRE-e86a56b5-15
0.278
MAR-UCB-195bc32d-14
0.278
MAR-TRE-e86a56b5-39
0.276
MAK-UNK-a7992eb3-30
0.276
NIC-BIO-7d400292-1
0.276
MAR-TRE-e86a56b5-37
0.275
MAK-UNK-c44f4be0-3
0.275
MAR-TRE-e86a56b5-49
0.274
MAK-UNK-a7992eb3-29
0.274
MAK-UNK-a7992eb3-18
0.273
NIC-BIO-7d400292-2
0.273
MAR-TRE-e86a56b5-50
0.272
MAR-TRE-e86a56b5-54
0.272
MAR-TRE-4f39ef4a-52
0.271
MAR-TRE-e86a56b5-90
0.270
MAR-TRE-e86a56b5-97
0.270
MAR-TRE-e86a56b5-77
0.264
MAR-TRE-a9136c7b-69
0.264
MAR-TRE-ebcc4ad6-35
0.262
CHA-KIN-bfe9b535-6
0.261
JAN-GHE-f375bf5b-1
0.259
MAR-TRE-e86a56b5-84
0.258
NIC-BIO-7d400292-3
0.258
ABH-HOE-1cbf6cd9-2
0.257
MAR-TRE-e86a56b5-11
0.256
MAK-UNK-a7992eb3-3
0.256
MAR-TRE-4f39ef4a-40
0.256
SAL-INS-68b48d12-4
0.255
CHA-KIN-87c379ac-2
0.254
MAR-TRE-e86a56b5-9
0.253
CHA-KIN-45d1307a-2
0.252
SAL-INS-68b48d12-12
0.250
MAR-TRE-e86a56b5-34
0.250
FAR-UNI-a04c1544-1
0.250
CHA-KIN-45d1307a-3
0.250