Molecular Properties | |
SMILES: | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1cccc(Cl)c1 |
MW: | 346.814 |
Fraction sp3: | 0.22 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 78.43 |
cLogP: | 2.4092 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_22____57907____17513450 |
Enamine Extended REAL: | s_22____57907____17513450 |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-16
NIC-BIO-a68395b7-3
0.672
NIC-BIO-7d400292-3
0.662
NIC-BIO-a68395b7-5
0.597
TRY-UNI-9f475305-11
0.586
NIC-BIO-a68395b7-2
0.571
AAR-POS-d2a4d1df-16
0.522
NIC-BIO-3276ca7f-6
0.518
NIM-UNI-ed9fc491-1
0.500
NIM-UNI-ed9fc491-2
0.494
NIC-BIO-a68395b7-1
0.462
MAR-TRE-fffca54f-96
0.460
MAR-TRE-e86a56b5-63
0.460
TRY-UNI-9f475305-10
0.456
MAR-TRE-e86a56b5-58
0.453
NIC-BIO-7d400292-2
0.449
NIM-UNI-ed9fc491-3
0.442
VOL-CHA-d666e5ae-2
0.429
VOL-CHA-d666e5ae-4
0.423
NIM-UNI-ed9fc491-4
0.413
MAK-UNK-c44f4be0-7
0.400
MAR-TRE-e86a56b5-45
0.397
MAK-UNK-10799360-26
0.388
MAR-TRE-e86a56b5-55
0.377
MAK-UNK-c44f4be0-10
0.375
DAV-CRI-25b90884-4
0.372
VOL-CHA-d666e5ae-3
0.370
MAR-TRE-e86a56b5-47
0.366
AAR-UNI-c25c2f1e-78
0.362
DAV-CRI-25b90884-1
0.361
DAR-DIA-6a49afbe-1
0.361
MAK-UNK-c44f4be0-4
0.361
MAR-TRE-e86a56b5-73
0.359
MAK-UNK-c44f4be0-9
0.359
MAK-UNK-c44f4be0-8
0.358
DAV-CRI-25b90884-3
0.357
MAR-TRE-e86a56b5-56
0.357
MAR-TRE-e86a56b5-62
0.357
DAV-CRI-25b90884-2
0.353
MAK-UNK-a7992eb3-27
0.352
NIC-BIO-3276ca7f-5
0.352
MAR-TRE-e86a56b5-31
0.351
MAT-POS-3b92565d-13
0.349
ALP-POS-76eab5ce-2
0.345
MAR-TRE-e86a56b5-98
0.342
MAR-TRE-e86a56b5-67
0.342
MAK-UNK-a7992eb3-29
0.341
NIC-BIO-b40446ce-2
0.340
MAR-TRE-e86a56b5-66
0.338
TRY-UNI-1fd04853-5
0.337
MAK-UNK-c44f4be0-14
0.337
NIC-BIO-7d400292-1
0.333
MAR-TRE-4f39ef4a-25
0.333
NIC-BIO-3276ca7f-7
0.333
MAR-TRE-e86a56b5-69
0.329
ARI-TAT-5792557e-28
0.325
MAR-TRE-85681e92-51
0.325
MAK-UNK-c44f4be0-3
0.323
MAK-UNK-c44f4be0-11
0.323
MAK-UNK-a7992eb3-28
0.322
JUA-UNI-b93289a4-6
0.321
NIM-NMI-8bb27a2b-27
0.320
MAR-TRE-e86a56b5-99
0.319
NIC-BIO-3276ca7f-4
0.319
MAR-TRE-e86a56b5-81
0.316
MAR-TRE-e86a56b5-83
0.315
CHA-KIN-bfe9b535-5
0.314
VOL-CHA-d666e5ae-5
0.312
MAR-TRE-e86a56b5-46
0.312
NIM-NMI-8bb27a2b-14
0.311
MAK-UNK-a7992eb3-3
0.310
CHA-KIN-bfe9b535-7
0.308
SAL-INS-68b48d12-4
0.308
JAN-GHE-5a013bed-5
0.307
SAL-INS-68b48d12-2
0.306
MAR-TRE-e86a56b5-19
0.305
MAK-UNK-a7992eb3-26
0.305
MAK-UNK-c44f4be0-1
0.304
WIL-LEE-1f71e281-7
0.304
EDJ-MED-b24713dc-3
0.303
MAT-POS-bb423b95-7
0.303
SAL-INS-a5f8a8b9-2
0.303
VOL-CHA-d666e5ae-1
0.302
MAR-TRE-e86a56b5-64
0.301
MAK-UNK-f983951f-22
0.301
MAR-TRE-e86a56b5-36
0.301
SAL-INS-68b48d12-12
0.301
NIC-BIO-7d400292-4
0.301
MAR-TRE-4b834d9a-12
0.300
ABH-HOE-1cbf6cd9-2
0.300
MIC-UNK-42806bd5-2
0.300
ALP-POS-90e38439-3
0.300
ALP-POS-8b8a49e1-5
0.300
MAR-TRE-e86a56b5-50
0.300
MAR-TRE-85681e92-70
0.299
MAK-UNK-a7992eb3-25
0.298
PET-UNK-158bee2a-1
0.298
VLA-UNK-4cf5aa07-1
0.298
AAR-POS-0daf6b7e-10
0.297
MAR-TRE-4b834d9a-22
0.297
MED-COV-4280ac29-2
0.297