Molecular Properties | |
SMILES: | CC(=O)NC(Cc1ccc(O)cc1)C(=O)Nc1cccc(Cl)c1 |
MW: | 332.09 |
Fraction sp3: | 0.18 |
HBA: | 3 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 78.43 |
cLogP: | 2.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
TRY-UNI-9f475305-10
0.676
NIC-BIO-a68395b7-4
0.586
NIC-BIO-a68395b7-3
0.536
MAR-TRE-e86a56b5-63
0.468
MAR-TRE-fffca54f-96
0.468
AAR-POS-d2a4d1df-16
0.465
MAR-TRE-e86a56b5-58
0.460
NIC-BIO-a68395b7-5
0.452
VOL-CHA-d666e5ae-2
0.434
NIC-BIO-a68395b7-2
0.434
VOL-CHA-d666e5ae-4
0.429
NIM-UNI-ed9fc491-1
0.415
NIM-UNI-ed9fc491-3
0.414
NIC-BIO-a68395b7-1
0.412
NIM-UNI-ed9fc491-2
0.410
NIM-UNI-ed9fc491-4
0.402
MAR-TRE-e86a56b5-66
0.397
NAU-LAT-4ce8bf23-3
0.391
MAR-TRE-e86a56b5-45
0.382
MAK-UNK-10799360-26
0.378
NIC-BIO-7d400292-3
0.376
MAK-UNK-c44f4be0-7
0.374
MIC-UNK-66895286-2
0.373
JOH-UNI-c7afdb96-5
0.372
MAR-TRE-e86a56b5-47
0.371
MAR-TRE-e86a56b5-56
0.362
MAR-TRE-e86a56b5-62
0.362
DAV-CRI-25b90884-4
0.360
NAU-LAT-4ce8bf23-1
0.359
VOL-CHA-d666e5ae-3
0.358
MAR-TRE-e86a56b5-31
0.356
DAV-CRI-25b90884-1
0.349
NIC-BIO-7d400292-2
0.349
JAG-UCB-cedd89ab-8
0.346
TRY-UNI-714a760b-12
0.346
MAR-TRE-e86a56b5-55
0.346
DAV-CRI-25b90884-3
0.345
MAR-TRE-e86a56b5-77
0.341
DAV-CRI-25b90884-2
0.341
JAN-GHE-d851b096-4
0.337
RIT-AID-d1f3f5d2-1
0.337
TRY-UNI-714a760b-9
0.333
MIC-UNK-66895286-4
0.333
MAK-UNK-c44f4be0-10
0.333
MAR-TRE-e86a56b5-69
0.333
JAG-UCB-ef2c0e8e-10
0.333
CHA-KIN-bfe9b535-5
0.330
MIC-UNK-8373f97b-3
0.330
JAN-LUN-3e0f9c09-1
0.329
JAN-LUN-8953ce76-6
0.329
MAR-TRE-e86a56b5-73
0.329
MIC-UNK-66895286-3
0.329
MAR-TRE-e86a56b5-67
0.329
MAR-TRE-85681e92-51
0.329
MAR-TRE-e86a56b5-98
0.329
EDJ-MED-49816e9b-1
0.325
MAK-UNK-c44f4be0-4
0.323
CHA-KIN-bfe9b535-1
0.323
MAR-TRE-4f39ef4a-25
0.322
JAN-GHE-d851b096-2
0.322
VOL-CHA-d666e5ae-1
0.321
BEN-DND-61647d40-19
0.321
AAR-UNI-c25c2f1e-46
0.321
CHA-KIN-bfe9b535-2
0.320
WAR-XCH-eb7b662f-7
0.320
JAN-GHE-83b26c96-19
0.320
DAR-DIA-23aa0b97-14
0.320
MAR-TRE-85681e92-70
0.320
JOR-UNI-2fc98d0b-7
0.320
MAR-TRE-e86a56b5-81
0.320
SEA-TRI-5a552082-1
0.318
BEN-DND-61647d40-20
0.316
MAR-TRE-e86a56b5-46
0.316
VOL-CHA-d666e5ae-5
0.316
NIC-BIO-3276ca7f-6
0.316
CHA-KIN-bfe9b535-4
0.311
CHA-KIN-bfe9b535-7
0.311
CHA-KIN-bfe9b535-8
0.310
JAG-UCB-252a2f58-1
0.309
MIC-UNK-10ba69b4-3
0.309
DAR-DIA-23aa0b97-13
0.308
WIL-LEE-1f71e281-7
0.308
MAK-UNK-c44f4be0-8
0.306
BEN-DND-61647d40-13
0.306
SEA-TRI-6388eba6-1
0.306
JIN-POS-6dc588a4-1
0.306
BEN-DND-02317c5c-11
0.306
MAR-TRE-e86a56b5-64
0.306
MAR-TRE-e86a56b5-99
0.306
CHA-KIN-bfe9b535-9
0.306
MAK-UNK-c44f4be0-9
0.305
MAR-TRE-e86a56b5-36
0.305
MAT-POS-bfb445d4-1
0.302
BEN-DND-61647d40-12
0.302
MIC-UNK-66895286-5
0.302
MAT-POS-3b92565d-14
0.302
BEN-DND-02317c5c-12
0.302
JAN-GHE-d851b096-3
0.302
MAR-TRE-e86a56b5-83
0.301
LUI-IND-a1be81af-2
0.300