Molecular Properties | |
SMILES: | COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)Cc1ccccc1 |
MW: | 313.13 |
Fraction sp3: | 0.22 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 75.63 |
cLogP: | 1.84 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Ester
Long aliphatic chain
MAR-TRE-e86a56b5-73
0.538
MAR-TRE-e86a56b5-62
0.459
MAR-TRE-e86a56b5-69
0.439
MAR-TRE-e86a56b5-45
0.435
MAR-TRE-e86a56b5-56
0.435
MAR-TRE-e86a56b5-63
0.433
MAR-TRE-fffca54f-96
0.433
MAR-TRE-85681e92-51
0.433
MAR-TRE-e86a56b5-83
0.429
MAR-TRE-e86a56b5-66
0.426
MAR-TRE-e86a56b5-58
0.426
MAR-TRE-e86a56b5-47
0.422
MAR-TRE-e86a56b5-46
0.414
VOL-CHA-d666e5ae-1
0.413
MAR-TRE-e86a56b5-31
0.403
MAR-TRE-e86a56b5-67
0.391
MAR-TRE-e86a56b5-50
0.380
NIC-BIO-a68395b7-4
0.377
MAK-UNK-f983951f-22
0.369
MAK-UNK-c44f4be0-10
0.369
MAK-UNK-c44f4be0-9
0.368
MAK-UNK-c44f4be0-8
0.367
FAR-UNI-a04c1544-1
0.364
MAR-TRE-85681e92-70
0.362
MAR-TRE-e86a56b5-34
0.357
AAR-POS-d2a4d1df-16
0.356
MAR-TRE-e86a56b5-84
0.354
MAR-TRE-e86a56b5-98
0.353
VOL-CHA-d666e5ae-2
0.351
MAR-TRE-e86a56b5-97
0.350
MAK-UNK-c44f4be0-7
0.348
JUA-UNI-b93289a4-6
0.347
TRY-UNI-9f475305-11
0.346
MAR-TRE-e86a56b5-81
0.343
MAR-TRE-4f39ef4a-25
0.341
MAR-TRE-4f39ef4a-52
0.338
MAR-TRE-e86a56b5-21
0.333
ABH-HOE-1cbf6cd9-2
0.330
MAK-UNK-c44f4be0-11
0.330
TRY-UNI-9f475305-10
0.329
MAR-TRE-8190bb11-70
0.329
VOL-CHA-d666e5ae-3
0.329
MAR-TRE-e86a56b5-41
0.329
NIC-BIO-a68395b7-5
0.329
NIC-BIO-a68395b7-3
0.329
MAR-TRE-e86a56b5-19
0.329
MAR-TRE-e86a56b5-11
0.329
MAR-TRE-e86a56b5-64
0.328
MAR-TRE-e86a56b5-99
0.328
MAK-UNK-10799360-26
0.327
NIM-UNI-ed9fc491-3
0.326
MAR-TRE-74c6519b-52
0.325
MAR-TRE-e86a56b5-36
0.325
ALE-UNK-fca05062-6
0.324
MAR-TRE-e86a56b5-25
0.321
MAR-TRE-e86a56b5-28
0.320
NIC-BIO-a68395b7-1
0.317
NIC-BIO-a68395b7-2
0.316
MAK-UNK-27459e11-12
0.313
MAR-TRE-e86a56b5-77
0.312
VOL-CHA-d666e5ae-4
0.312
CHA-KIN-bfe9b535-8
0.312
CHA-KIN-bfe9b535-6
0.311
NIM-UNI-ed9fc491-1
0.306
NIM-UNI-ed9fc491-4
0.305
NIM-UNI-ed9fc491-2
0.302
MAK-UNK-c44f4be0-3
0.302
ARI-TAT-5792557e-28
0.300
MAK-UNK-c44f4be0-4
0.299
CHA-KIN-bfe9b535-1
0.299
CHA-KIN-bfe9b535-3
0.298
CHA-KIN-bfe9b535-2
0.297
MAR-TRE-e86a56b5-39
0.296
FAR-UNI-9a76d7b5-1
0.295
AAR-POS-fca48359-12
0.295
CHA-KIN-bfe9b535-9
0.295
MAR-TRE-e86a56b5-94
0.295
JUA-UNI-a9dfaed1-6
0.295
CHA-KIN-bfe9b535-5
0.294
TRY-UNI-714a760b-2
0.293
RAL-MED-2de63afb-6
0.293
MAR-TRE-e86a56b5-5
0.291
SAL-INS-a5f8a8b9-1
0.290
MAR-TRE-4f39ef4a-40
0.289
CHA-KIN-bfe9b535-4
0.288
CHA-KIN-bfe9b535-7
0.288
MAK-UNK-f983951f-13
0.288
FAR-UNI-124f5ee8-1
0.287
MAR-TRE-4f781e27-27
0.287
VOL-CHA-d666e5ae-5
0.286
MAK-UNK-c44f4be0-14
0.286
SAL-INS-68b48d12-2
0.284
SAL-INS-68b48d12-3
0.284
SAL-INS-68b48d12-4
0.284
MAR-TRE-4f781e27-69
0.284
TRY-UNI-714a760b-5
0.284
MAR-TRE-ebcc4ad6-35
0.283
SAN-PRS-52b81272-2
0.282
SAL-INS-a5f8a8b9-2
0.281
MAR-TRE-e86a56b5-15
0.280