Molecular Properties | |
SMILES: | C[C@H](N)C(=O)N[C@@H](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 | |
Mcule: | MCULE-6079820570 |
MolPort: | MolPort-003-940-154 |
Long aliphatic chain
MAR-TRE-e86a56b5-31
0.735
MAR-TRE-e86a56b5-63
0.638
MAR-TRE-fffca54f-96
0.638
MAR-TRE-e86a56b5-62
0.600
MAR-TRE-e86a56b5-45
0.569
MAR-TRE-e86a56b5-66
0.517
MAR-TRE-e86a56b5-98
0.509
MAR-TRE-e86a56b5-67
0.500
MAR-TRE-e86a56b5-46
0.500
MAR-TRE-e86a56b5-58
0.500
MAR-TRE-e86a56b5-81
0.491
MAR-TRE-e86a56b5-19
0.460
MAR-TRE-e86a56b5-56
0.455
MAR-TRE-85681e92-70
0.441
MAR-TRE-e86a56b5-69
0.433
MAR-TRE-e86a56b5-99
0.429
AAR-POS-d2a4d1df-16
0.429
MAR-TRE-4f39ef4a-25
0.423
MAR-TRE-e86a56b5-55
0.422
MAR-TRE-e86a56b5-28
0.406
MAR-TRE-e86a56b5-64
0.404
MAR-TRE-85681e92-51
0.403
MAR-TRE-e86a56b5-73
0.400
VOL-CHA-d666e5ae-2
0.397
SHA-THE-408e7524-3
0.396
NIC-BIO-a68395b7-5
0.394
NIC-BIO-a68395b7-3
0.394
SHA-THE-408e7524-23
0.391
VOL-CHA-d666e5ae-4
0.391
VOL-CHA-d666e5ae-1
0.386
NIC-BIO-a68395b7-2
0.377
MAR-TRE-e86a56b5-97
0.375
TRY-UNI-9f475305-11
0.371
MAR-TRE-e86a56b5-36
0.368
NIC-BIO-a68395b7-4
0.366
MAK-UNK-c44f4be0-10
0.359
NIC-BIO-a68395b7-1
0.356
VOL-CHA-d666e5ae-3
0.352
TRY-UNI-9f475305-10
0.351
MAK-UNK-c44f4be0-11
0.349
VOL-CHA-d666e5ae-5
0.343
NIM-UNI-ed9fc491-1
0.342
MAK-UNK-c44f4be0-9
0.341
MAR-TRE-e86a56b5-49
0.339
MAR-TRE-e86a56b5-39
0.339
MAR-TRE-e86a56b5-21
0.338
NIM-UNI-ed9fc491-2
0.338
MAR-TRE-e86a56b5-77
0.333
MAR-TRE-e86a56b5-90
0.333
MAK-UNK-c44f4be0-14
0.333
MAR-TRE-ebcc4ad6-35
0.333
MAR-TRE-e86a56b5-11
0.333
NIM-UNI-ed9fc491-3
0.329
MAR-TRE-4f39ef4a-40
0.328
MAR-TRE-e86a56b5-50
0.328
MAR-TRE-4f39ef4a-52
0.324
MAR-TRE-85681e92-74
0.323
NIM-UNI-ed9fc491-4
0.322
MAK-UNK-c44f4be0-7
0.321
MAR-TRE-e86a56b5-6
0.318
MAR-TRE-e86a56b5-15
0.318
CHA-KIN-bfe9b535-4
0.316
CHA-KIN-bfe9b535-8
0.315
CHA-KIN-bfe9b535-1
0.315
MAR-TRE-87acfbcc-51
0.314
MAR-TRE-e86a56b5-37
0.313
CHA-KIN-bfe9b535-2
0.312
MAR-UCB-195bc32d-14
0.312
MAK-UNK-c44f4be0-8
0.310
MAR-TRE-e86a56b5-5
0.310
CHA-KIN-bfe9b535-5
0.309
MAR-TRE-e86a56b5-84
0.307
MAR-TRE-e86a56b5-83
0.306
CHA-KIN-7308df58-3
0.304
CHA-KIN-45d1307a-2
0.304
MAK-UNK-c44f4be0-3
0.303
CHA-KIN-45d1307a-3
0.303
CHA-KIN-bfe9b535-7
0.302
MAK-UNK-c44f4be0-4
0.300
CHA-KIN-87c379ac-1
0.300
CHA-KIN-bfe9b535-3
0.299
MAR-TRE-85681e92-91
0.299
MAR-TRE-e86a56b5-41
0.297
CHA-KIN-7308df58-2
0.297
JUS-UNI-57125a42-1
0.296
CHA-KIN-bfe9b535-9
0.296
MAR-TRE-4f781e27-24
0.296
CHA-KIN-7308df58-1
0.293
MAR-TRE-e86a56b5-54
0.290
MAR-TRE-36bf7dba-56
0.288
MAK-UNK-10799360-26
0.287
CHA-KIN-45d1307a-1
0.287
CHA-KIN-bfe9b535-6
0.286
SAL-INS-68b48d12-3
0.284
MAR-TRE-66ac689e-87
0.282
ABH-HOE-1cbf6cd9-2
0.280
FAR-UNI-a04c1544-1
0.280
MAR-TRE-e86a56b5-35
0.280
MAR-TRE-e86a56b5-94
0.278
MAR-TRE-e86a56b5-42
0.277