Molecular Properties | |
SMILES: | CC(C)(C)[C@@H](N)C(=O)NCC(=O)Nc1cccnc1 |
MW: | 264.16 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 97.11 |
cLogP: | 0.51 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-7f7bb9f0-49
0.678
MAR-TRE-67513f76-92
0.549
MAR-TRE-67513f76-81
0.519
JOH-IMS-62aeb97d-5
0.500
MAR-TRE-74c6519b-91
0.479
MAK-UNK-ca11b4f7-1
0.474
MAR-TRE-3e4e6814-62
0.472
MAR-TRE-04c86cea-81
0.472
MAR-TRE-b77b7921-74
0.466
MAR-TRE-7f7bb9f0-97
0.459
MAR-TRE-2fd8122f-60
0.458
MAK-UNK-c749d764-27
0.456
MAR-TRE-b77b7921-77
0.456
MAK-UNK-c749d764-17
0.455
MAR-TRE-b77b7921-71
0.453
MAR-TRE-b77b7921-97
0.453
MAR-TRE-3e4e6814-67
0.452
WIL-UNI-1faa9b10-8
0.447
MAR-TRE-9c797165-38
0.436
MAR-TRE-74c6519b-17
0.434
MAR-TRE-3e4e6814-49
0.434
MAR-TRE-7f7bb9f0-68
0.434
MAK-UNK-a7b37c5e-1
0.433
MAR-TRE-74c6519b-68
0.429
ALE-HEI-f28a35b5-14
0.429
DAR-DIA-842b4336-12
0.426
ALE-HEI-f28a35b5-5
0.426
DAR-DIA-842b4336-11
0.426
AUS-ARG-7cfdce8f-11
0.424
MAK-UNK-a7b37c5e-5
0.424
MAR-TRE-9c797165-57
0.423
SAN-PRS-52b81272-2
0.422
MAR-TRE-04c86cea-51
0.422
DAR-DIA-842b4336-16
0.420
MAR-TRE-7f7bb9f0-12
0.420
SAD-SAT-24589cd1-4
0.415
MAR-TRE-7f7bb9f0-8
0.412
MAR-TRE-7f7bb9f0-82
0.412
MAK-UNK-a7b37c5e-4
0.409
MAK-UNK-ca11b4f7-3
0.407
MED-UNK-e6e8ef8a-6
0.406
MAR-TRE-2fd8122f-78
0.403
MAR-TRE-2fd8122f-2
0.403
MAR-TRE-04c86cea-95
0.402
MAR-TRE-2fd8122f-99
0.400
MAR-TRE-67513f76-13
0.400
MAK-UNK-a7b37c5e-2
0.400
MED-UNK-e6e8ef8a-3
0.400
MAR-TRE-3e4e6814-93
0.397
MAR-TRE-67513f76-73
0.397
DAR-DIA-842b4336-10
0.397
MAK-UNK-c749d764-23
0.395
MAR-TRE-2fd8122f-45
0.392
MAR-TRE-3e4e6814-50
0.392
DAR-DIA-23aa0b97-16
0.391
MAR-TRE-2fd8122f-67
0.391
FRA-FAC-9ed5a63a-1
0.391
JOH-IMS-62aeb97d-2
0.391
AAR-POS-d2a4d1df-13
0.391
ALE-HEI-f28a35b5-9
0.391
MAR-TRE-7f7bb9f0-56
0.389
TAM-UNI-c140e31a-3
0.389
MED-UNK-e6e8ef8a-4
0.389
MAR-TRE-2fd8122f-27
0.388
MAK-UNK-d1e89583-1
0.388
MAR-TRE-9c797165-52
0.387
MAK-UNK-c749d764-14
0.387
DAR-DIA-842b4336-13
0.386
MED-UNK-e6e8ef8a-5
0.386
MED-UNK-e6e8ef8a-1
0.386
EDG-MED-0da5ad92-2
0.386
ALE-HEI-f28a35b5-15
0.385
TAM-UNI-c140e31a-10
0.385
KEI-TRE-d5e2018a-45
0.385
MAR-TRE-2fd8122f-57
0.384
MAR-TRE-d0525fbf-91
0.384
MAK-UNK-ca11b4f7-2
0.383
WAR-XCH-eb7b662f-6
0.382
AAR-POS-d2a4d1df-11
0.381
FRA-FAC-9ed5a63a-2
0.380
MED-UNK-e6e8ef8a-2
0.380
MAR-TRE-b77b7921-80
0.380
MAR-TRE-d0525fbf-64
0.380
MAR-TRE-74c6519b-47
0.378
MAR-TRE-2fd8122f-37
0.377
MAR-TRE-9c797165-94
0.377
MAR-TRE-7f7bb9f0-74
0.375
CHR-SOS-f7373dd1-5
0.375
CHA-MCP-85291e1d-2
0.373
MAR-TRE-7f7bb9f0-90
0.373
SAD-SAT-689b7d5a-4
0.373
MAK-UNK-d1e89583-8
0.373
ADA-UNI-f8e79267-5
0.373
CHA-MCP-85291e1d-1
0.372
CHR-SOS-f7373dd1-6
0.372
ALE-HEI-f28a35b5-4
0.371
MAK-UNK-c749d764-9
0.370
MAR-TRE-74c6519b-81
0.370
DAR-DIA-842b4336-14
0.370
MAR-TRE-2fd8122f-79
0.370