Molecular Properties | |
SMILES: | CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCc1ccc(C#N)cc1 |
MW: | 337.379 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 102.22 |
cLogP: | 1.62748 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | s_22____5145036____17513450 |
Enamine Extended REAL: | s_22____5145036____17513450 |
Long aliphatic chain
Dipeptide
AAR-POS-d2a4d1df-16
NIC-BIO-a68395b7-3
0.694
NIC-BIO-a68395b7-5
0.694
NIC-BIO-a68395b7-4
0.571
AAR-POS-d2a4d1df-16
0.561
TRY-UNI-9f475305-10
0.548
MAR-TRE-e86a56b5-63
0.475
MAR-TRE-fffca54f-96
0.475
NIM-UNI-ed9fc491-1
0.474
NIC-BIO-a68395b7-1
0.474
NIM-UNI-ed9fc491-2
0.468
MAR-TRE-e86a56b5-58
0.468
NIC-BIO-7d400292-2
0.442
VOL-CHA-d666e5ae-2
0.440
VOL-CHA-d666e5ae-4
0.434
TRY-UNI-9f475305-11
0.434
MAK-UNK-f983951f-23
0.406
MAR-TRE-e86a56b5-62
0.388
NIM-UNI-ed9fc491-3
0.386
MAK-UNK-c44f4be0-7
0.378
MAR-TRE-e86a56b5-47
0.377
MAK-UNK-c44f4be0-10
0.368
MAR-TRE-e86a56b5-56
0.368
NIC-BIO-7d400292-3
0.365
VOL-CHA-d666e5ae-3
0.362
NIM-UNI-ed9fc491-4
0.362
MAR-TRE-e86a56b5-31
0.361
MAR-TRE-e86a56b5-98
0.352
MAR-TRE-e86a56b5-45
0.348
AAR-POS-d2a4d1df-21
0.347
MAK-UNK-a7992eb3-27
0.345
MAK-UNK-a7992eb3-28
0.345
MAK-UNK-c44f4be0-14
0.344
NIC-BIO-3276ca7f-5
0.344
MAK-UNK-c44f4be0-3
0.344
NIC-BIO-7d400292-1
0.341
NIC-BIO-3276ca7f-7
0.341
SWA-SYN-d2e6fa14-7
0.338
SWA-SYN-6423ea73-7
0.338
MAK-UNK-c44f4be0-9
0.337
MAK-UNK-a7992eb3-29
0.333
MAK-UNK-c44f4be0-11
0.330
MAR-TRE-e86a56b5-19
0.329
MAR-TRE-e86a56b5-66
0.329
MAR-TRE-e86a56b5-99
0.329
MAK-UNK-10799360-26
0.327
NIC-BIO-3276ca7f-4
0.326
MAR-TRE-e86a56b5-36
0.325
MAR-TRE-e86a56b5-81
0.324
MAK-UNK-c44f4be0-8
0.323
VOL-CHA-d666e5ae-5
0.321
MAR-TRE-e86a56b5-46
0.321
MAR-TRE-e86a56b5-69
0.320
NIC-BIO-b40446ce-2
0.319
MAK-UNK-a7992eb3-30
0.317
MAR-TRE-e86a56b5-73
0.316
MAR-TRE-e86a56b5-55
0.316
MAR-TRE-e86a56b5-67
0.316
MAR-TRE-85681e92-51
0.316
MAK-UNK-a7992eb3-25
0.315
MAK-UNK-c44f4be0-4
0.313
MAR-TRE-e86a56b5-64
0.310
MAR-TRE-85681e92-70
0.307
MAR-TRE-e86a56b5-83
0.306
MAR-TRE-e86a56b5-97
0.302
TRY-UNI-1fd04853-8
0.302
MAK-UNK-a7992eb3-11
0.301
MAK-UNK-a7992eb3-18
0.299
MAK-UNK-a7992eb3-26
0.298
MAR-TRE-4f39ef4a-25
0.295
NEL-UNI-1464a899-8
0.295
VOL-CHA-d666e5ae-1
0.294
NIC-BIO-7d400292-4
0.293
MAK-UNK-a7992eb3-3
0.292
MAK-UNK-be3f299e-6
0.291
MAR-TRE-2fd8122f-69
0.289
MAR-TRE-e86a56b5-28
0.287
NEL-UNI-1464a899-3
0.286
MAK-UNK-c44f4be0-1
0.284
MAR-TRE-e86a56b5-77
0.282
MAR-UCB-195bc32d-14
0.281
MAR-TRE-e86a56b5-39
0.280
NIC-BIO-3276ca7f-6
0.278
MAR-TRE-e86a56b5-49
0.278
AAR-POS-0daf6b7e-45
0.275
CHA-KIN-bfe9b535-1
0.275
MAR-TRE-e86a56b5-90
0.274
MAK-UNK-c44f4be0-2
0.272
SAL-INS-68b48d12-4
0.272
MAR-TRE-14ce9fd6-62
0.271
SEL-UNI-49ab05bd-6
0.271
ABH-HOE-1cbf6cd9-2
0.270
CHA-KIN-bfe9b535-7
0.266
SAL-INS-68b48d12-12
0.266
MAR-TRE-e86a56b5-21
0.266
NIC-BIO-3276ca7f-2
0.264
CHA-KIN-bfe9b535-3
0.264
JUA-UNI-b93289a4-6
0.263
CHA-KIN-bfe9b535-8
0.262
CHA-KIN-bfe9b535-2
0.262
CHA-KIN-bfe9b535-9
0.261