Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(C#N)c1 |
MW: | 323.13 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 102.22 |
cLogP: | 1.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
TRY-UNI-9f475305-11
0.676
NIC-BIO-a68395b7-2
0.548
NIC-BIO-a68395b7-5
0.467
NIC-BIO-a68395b7-3
0.467
AAR-POS-d2a4d1df-16
0.459
NIC-BIO-a68395b7-4
0.456
MAR-TRE-e86a56b5-63
0.439
MAR-TRE-fffca54f-96
0.439
MAR-TRE-e86a56b5-58
0.433
VOL-CHA-d666e5ae-2
0.412
VOL-CHA-d666e5ae-4
0.407
TRY-UNI-714a760b-24
0.395
MIC-UNK-2744a8e2-2
0.393
NIC-BIO-a68395b7-1
0.393
ANN-UNI-26382800-6
0.390
TRY-UNI-714a760b-23
0.381
NIM-UNI-ed9fc491-1
0.379
MAR-TRE-e86a56b5-66
0.377
NIM-UNI-ed9fc491-2
0.375
MIC-UNK-2744a8e2-4
0.375
MIC-UNK-2744a8e2-8
0.375
DAR-DIA-23aa0b97-4
0.375
MAK-UNK-c44f4be0-7
0.372
MIC-UNK-2744a8e2-13
0.372
MIC-UNK-2744a8e2-3
0.372
MIC-UNK-1e397c67-1
0.372
JOR-UNI-61e7b1d5-2
0.372
WAR-XCH-eb7b662f-1
0.372
ANN-UNI-26382800-4
0.372
DAR-DIA-23aa0b97-5
0.372
AAR-UNI-c25c2f1e-74
0.367
NIM-UNI-ed9fc491-3
0.366
MAR-TRE-e86a56b5-56
0.361
MAR-TRE-e86a56b5-62
0.361
MIC-UNK-2744a8e2-11
0.361
DAR-DIA-23aa0b97-8
0.358
NIM-UNI-ed9fc491-4
0.357
MIC-UNK-2744a8e2-6
0.357
DAR-DIA-23aa0b97-3
0.357
MIC-UNK-2744a8e2-10
0.354
MIC-UNK-2744a8e2-12
0.354
MAR-TRE-e86a56b5-47
0.351
MIC-UNK-2744a8e2-9
0.350
MIC-UNK-2744a8e2-7
0.350
MIC-UNK-2744a8e2-5
0.347
MIC-UNK-2744a8e2-14
0.347
DAR-DIA-23aa0b97-11
0.344
MAR-TRE-e86a56b5-45
0.342
MAR-TRE-e86a56b5-77
0.341
VOL-CHA-d666e5ae-3
0.341
AAR-UNI-c25c2f1e-56
0.341
MAR-TRE-e86a56b5-31
0.338
MAK-UNK-6ca90168-25
0.337
MAK-UNK-10799360-26
0.337
MAK-UNK-c44f4be0-10
0.333
DAR-DIA-23aa0b97-19
0.333
MAR-TRE-e86a56b5-55
0.329
MAR-TRE-e86a56b5-98
0.329
DAN-MCD-02570321-1
0.324
MIH-UNI-6b9ca91a-5
0.321
MAR-TRE-e86a56b5-69
0.316
DAR-DIA-23aa0b97-1
0.315
MAR-TRE-e86a56b5-97
0.315
MAR-TRE-e86a56b5-73
0.313
MAR-TRE-e86a56b5-67
0.312
MAR-TRE-85681e92-51
0.312
DAR-DIA-03336633-4
0.311
MAK-UNK-c44f4be0-4
0.311
DAR-DIA-23aa0b97-18
0.309
MAK-UNK-c44f4be0-8
0.307
VOL-CHA-d666e5ae-1
0.307
MAK-UNK-c44f4be0-9
0.306
MAR-TRE-e86a56b5-36
0.306
MAR-TRE-e86a56b5-81
0.304
MAR-TRE-85681e92-70
0.304
NIC-BIO-7d400292-2
0.303
VOL-CHA-d666e5ae-5
0.301
JOH-UNI-c7afdb96-13
0.301
MAR-TRE-e86a56b5-46
0.301
MAK-UNK-c44f4be0-3
0.301
MAK-UNK-c44f4be0-11
0.300
MAK-UNK-c44f4be0-14
0.299
CHA-KIN-bfe9b535-1
0.298
MAR-TRE-e86a56b5-19
0.294
MAR-TRE-4f39ef4a-25
0.293
NIC-BIO-7d400292-1
0.292
ANN-UNI-26382800-5
0.291
MAR-TRE-e86a56b5-64
0.289
MAR-TRE-e86a56b5-99
0.289
AAR-UNI-c25c2f1e-102
0.289
MAK-UNK-a7992eb3-29
0.289
MAR-TRE-2fd8122f-69
0.287
DAV-CRI-25b90884-4
0.287
NIC-BIO-7d400292-3
0.287
NIM-UNI-310206f0-35
0.287
MAR-TRE-e86a56b5-83
0.286
CHA-KIN-bfe9b535-6
0.286
CHA-KIN-bfe9b535-8
0.286
CHA-KIN-bfe9b535-2
0.284
MAK-UNK-a7992eb3-27
0.284