Molecular Properties | |
SMILES: | C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)O |
MW: | 252.11 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 4 |
Rotatable Bonds: | 5 |
TPSA: | 112.65 |
cLogP: | -0.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-013-146-090 |
Long aliphatic chain
MAR-TRE-e86a56b5-81
0.686
MAR-TRE-e86a56b5-99
0.558
MAR-TRE-e86a56b5-47
0.509
MAR-TRE-e86a56b5-31
0.483
MAR-TRE-fffca54f-96
0.472
MAR-TRE-e86a56b5-63
0.472
MAR-TRE-e86a56b5-58
0.436
MAR-TRE-e86a56b5-77
0.426
MAR-TRE-e86a56b5-45
0.421
MAR-TRE-e86a56b5-62
0.421
MAR-TRE-e86a56b5-66
0.413
AAR-POS-d2a4d1df-16
0.379
MAR-TRE-e86a56b5-21
0.375
MAR-TRE-e86a56b5-56
0.373
VOL-CHA-d666e5ae-2
0.371
MAR-TRE-e86a56b5-11
0.371
MAR-TRE-85681e92-70
0.365
MAR-TRE-e86a56b5-50
0.364
MAR-TRE-e86a56b5-69
0.359
MAR-TRE-e86a56b5-46
0.358
VOL-CHA-d666e5ae-5
0.358
MAR-TRE-4f39ef4a-52
0.357
MAR-TRE-e86a56b5-39
0.355
MAR-TRE-e86a56b5-15
0.354
MAR-TRE-e86a56b5-67
0.354
MAR-TRE-85681e92-51
0.354
MAR-TRE-e86a56b5-55
0.353
NIC-BIO-a68395b7-2
0.352
MAR-TRE-e86a56b5-40
0.350
NIC-BIO-a68395b7-3
0.348
NIC-BIO-a68395b7-5
0.348
VOL-CHA-d666e5ae-4
0.347
NIC-BIO-a68395b7-4
0.342
JUS-UNI-57125a42-1
0.342
MAR-TRE-e86a56b5-6
0.333
MAR-TRE-e86a56b5-73
0.333
TRY-UNI-9f475305-10
0.329
TRY-UNI-9f475305-11
0.329
MAR-TRE-e86a56b5-19
0.329
MAR-TRE-e86a56b5-37
0.328
MAR-TRE-ebcc4ad6-35
0.327
VOL-CHA-d666e5ae-1
0.324
MAR-TRE-4f39ef4a-40
0.324
MAR-TRE-e86a56b5-71
0.322
MAK-UNK-c44f4be0-10
0.321
NIM-UNI-ed9fc491-1
0.321
MAR-TRE-e86a56b5-28
0.319
MAR-TRE-e86a56b5-52
0.317
MAR-TRE-e86a56b5-88
0.317
NIM-UNI-ed9fc491-2
0.316
NIC-BIO-a68395b7-1
0.316
MAR-TRE-e86a56b5-86
0.316
MAR-TRE-e86a56b5-32
0.312
CHA-KIN-bfe9b535-1
0.311
VOL-CHA-d666e5ae-3
0.311
NIM-UNI-ed9fc491-3
0.310
MAR-TRE-4f39ef4a-25
0.308
MAK-UNK-c44f4be0-9
0.306
MAR-TRE-e86a56b5-36
0.306
MAR-TRE-e86a56b5-5
0.306
NIM-UNI-ed9fc491-4
0.303
SHA-THE-408e7524-23
0.303
MAR-TRE-e86a56b5-84
0.303
MAR-TRE-e86a56b5-25
0.303
MAK-UNK-c44f4be0-7
0.302
MAR-TRE-e86a56b5-97
0.299
CHA-KIN-45d1307a-1
0.298
MAK-UNK-c44f4be0-14
0.298
SAL-INS-68b48d12-3
0.296
MAR-TRE-e86a56b5-92
0.294
MAR-TRE-e86a56b5-42
0.292
MAR-UCB-195bc32d-14
0.291
MAR-TRE-e86a56b5-24
0.290
CHA-KIN-7308df58-1
0.290
CHA-KIN-45d1307a-2
0.287
MAK-UNK-f983951f-22
0.286
CHA-KIN-45d1307a-3
0.286
MAR-TRE-e86a56b5-64
0.286
CHA-KIN-87c379ac-1
0.284
MAK-UNK-c44f4be0-11
0.284
MAR-TRE-e86a56b5-79
0.283
CHA-KIN-bfe9b535-8
0.283
SAL-INS-68b48d12-11
0.282
CHA-KIN-bfe9b535-2
0.281
CHA-KIN-bfe9b535-9
0.280
CHA-KIN-7308df58-2
0.280
CHA-KIN-bfe9b535-5
0.278
MAK-UNK-c44f4be0-8
0.278
FAR-UNI-a04c1544-1
0.276
SHA-THE-408e7524-8
0.276
MAR-TRE-4f39ef4a-61
0.275
MAR-TRE-87acfbcc-25
0.274
CHA-KIN-7308df58-3
0.274
CHA-KIN-bfe9b535-4
0.273
SAL-INS-68b48d12-1
0.273
CHA-KIN-bfe9b535-7
0.273
MAK-UNK-c44f4be0-3
0.272
MAK-UNK-10799360-26
0.271
MAR-TRE-9d18ae8c-20
0.271
CHA-KIN-bfe9b535-3
0.270