Molecular Properties | |
SMILES: | C[C@@H](N)[C@@H](C)C(=O)NCC(=O)Nc1cccnc1 |
MW: | 250.14 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 97.11 |
cLogP: | 0.12 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-67513f76-93
0.678
MAR-TRE-67513f76-92
0.557
JOH-IMS-62aeb97d-5
0.509
MAR-TRE-74c6519b-91
0.507
MAR-TRE-67513f76-81
0.500
MAR-TRE-3e4e6814-62
0.500
MAR-TRE-b77b7921-97
0.500
MAR-TRE-b77b7921-71
0.500
MAK-UNK-ca11b4f7-1
0.482
MAR-TRE-3e4e6814-67
0.479
MAR-TRE-04c86cea-81
0.479
MAR-TRE-b77b7921-74
0.472
MAR-TRE-7f7bb9f0-97
0.466
MAR-TRE-2fd8122f-60
0.465
MAR-TRE-b77b7921-77
0.462
MAR-TRE-9c797165-38
0.461
MAR-TRE-74c6519b-17
0.459
DAR-DIA-842b4336-12
0.455
MAR-TRE-74c6519b-68
0.453
MAR-TRE-2fd8122f-2
0.446
MAK-UNK-c749d764-27
0.441
MAR-TRE-7f7bb9f0-68
0.440
MAR-TRE-3e4e6814-49
0.440
MAK-UNK-a7b37c5e-1
0.439
MAK-UNK-c749d764-17
0.439
ALE-HEI-f28a35b5-14
0.435
WIL-UNI-1faa9b10-8
0.434
ALE-HEI-f28a35b5-5
0.433
AUS-ARG-7cfdce8f-11
0.431
MAR-TRE-2fd8122f-78
0.429
SAN-PRS-52b81272-2
0.429
MAR-TRE-9c797165-57
0.429
MAR-TRE-04c86cea-51
0.427
DAR-DIA-842b4336-16
0.426
MAR-TRE-7f7bb9f0-12
0.425
MAR-TRE-67513f76-73
0.423
SAD-SAT-24589cd1-4
0.422
MAK-UNK-c749d764-23
0.419
JOH-IMS-62aeb97d-2
0.418
MAR-TRE-7f7bb9f0-8
0.418
MAR-TRE-7f7bb9f0-82
0.418
CHA-MCP-85291e1d-2
0.417
MAK-UNK-a7b37c5e-4
0.415
MAK-UNK-ca11b4f7-3
0.414
DAR-DIA-842b4336-11
0.412
DAR-DIA-842b4336-13
0.412
MED-UNK-e6e8ef8a-6
0.412
MAK-UNK-a7b37c5e-5
0.409
KEI-TRE-d5e2018a-45
0.408
TAM-UNI-c140e31a-10
0.408
MAR-TRE-04c86cea-95
0.407
MED-UNK-e6e8ef8a-3
0.406
MAK-UNK-a7b37c5e-2
0.406
MAR-TRE-2fd8122f-99
0.405
DAR-DIA-842b4336-10
0.403
MAR-TRE-d0525fbf-64
0.403
MAR-TRE-2fd8122f-37
0.400
CHA-MCP-85291e1d-4
0.400
MAR-TRE-2fd8122f-83
0.398
AAR-POS-d2a4d1df-13
0.397
ALE-HEI-f28a35b5-9
0.397
FRA-FAC-9ed5a63a-1
0.397
DAR-DIA-23aa0b97-16
0.397
CHA-MCP-85291e1d-1
0.395
DAR-DIA-842b4336-14
0.394
MED-UNK-e6e8ef8a-4
0.394
MAR-TRE-2fd8122f-27
0.394
MAK-UNK-d1e89583-1
0.394
MAK-UNK-c749d764-9
0.392
MAK-UNK-c749d764-14
0.392
MAR-TRE-9c797165-52
0.392
CHA-MCP-85291e1d-5
0.392
MED-UNK-e6e8ef8a-1
0.391
EDG-MED-0da5ad92-2
0.391
MED-UNK-e6e8ef8a-5
0.391
ALE-HEI-f28a35b5-15
0.391
MAR-TRE-2fd8122f-17
0.390
MAK-UNK-ca11b4f7-2
0.390
KEI-TRE-d5e2018a-29
0.390
MAR-TRE-d0525fbf-91
0.389
AAR-POS-d2a4d1df-11
0.387
KEI-TRE-d5e2018a-17
0.387
MAR-TRE-67513f76-13
0.387
MAR-TRE-9c797165-47
0.386
MED-UNK-e6e8ef8a-2
0.386
FRA-FAC-9ed5a63a-2
0.386
KEI-TRE-d5e2018a-89
0.385
MAR-TRE-3e4e6814-59
0.385
MAR-TRE-b77b7921-80
0.385
MAR-TRE-9c797165-60
0.385
CHR-SOS-59746812-2
0.384
MAR-TRE-3e4e6814-93
0.384
MAR-TRE-74c6519b-47
0.384
MAR-TRE-67513f76-22
0.383
MAR-TRE-9c797165-94
0.382
MAR-TRE-7f7bb9f0-74
0.380
CHR-SOS-f7373dd1-5
0.380
MAR-TRE-2fd8122f-45
0.380
KEI-TRE-d5e2018a-24
0.380
SAD-SAT-689b7d5a-4
0.378