Molecular Properties | |
SMILES: | NC[C@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccnc2)O1 |
MW: | 278.14 |
Fraction sp3: | 0.46 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 106.34 |
cLogP: | -0.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-9c797165-48
0.721
MAR-TRE-4b834d9a-67
0.575
MAR-TRE-74c6519b-91
0.548
MAR-TRE-3e4e6814-62
0.520
MAR-TRE-b77b7921-71
0.519
MAR-TRE-74c6519b-17
0.519
MAR-TRE-b77b7921-97
0.519
MAR-TRE-9c797165-38
0.481
MAR-TRE-04c86cea-81
0.481
MAR-TRE-7f7bb9f0-49
0.466
MAR-TRE-04c86cea-95
0.464
MAR-TRE-3e4e6814-67
0.462
MAR-TRE-67513f76-93
0.459
MAR-TRE-b77b7921-74
0.456
MAR-TRE-74c6519b-81
0.451
MAR-TRE-7f7bb9f0-12
0.447
MAR-TRE-3e4e6814-49
0.444
MAR-TRE-7f7bb9f0-68
0.444
MAR-TRE-2fd8122f-60
0.430
MAR-TRE-67513f76-81
0.429
MAR-TRE-b77b7921-80
0.427
MAR-TRE-7f7bb9f0-8
0.424
MAR-TRE-67513f76-92
0.422
MAK-UNK-ca11b4f7-1
0.415
JOH-IMS-62aeb97d-5
0.415
MAR-TRE-b77b7921-77
0.414
MAR-TRE-3e4e6814-59
0.410
ALE-HEI-f28a35b5-9
0.405
AAR-POS-d2a4d1df-13
0.405
FRA-FAC-9ed5a63a-1
0.405
ALE-HEI-f28a35b5-14
0.400
MAR-TRE-9c797165-86
0.400
MED-UNK-e6e8ef8a-5
0.400
MAR-TRE-67513f76-37
0.395
DAR-DIA-842b4336-16
0.395
MED-UNK-e6e8ef8a-2
0.395
MED-UNK-e6e8ef8a-3
0.395
FRA-FAC-9ed5a63a-2
0.395
MAR-TRE-7f7bb9f0-82
0.391
WIL-UNI-1faa9b10-8
0.388
MAR-TRE-74c6519b-68
0.388
MED-UNK-e6e8ef8a-4
0.385
MAR-TRE-7f7bb9f0-81
0.384
MAR-TRE-2fd8122f-27
0.384
MED-UNK-e6e8ef8a-6
0.382
DAR-DIA-842b4336-12
0.382
MAR-TRE-2fd8122f-61
0.381
MAR-TRE-9c797165-47
0.379
NAU-LAT-64f4b287-10
0.378
MAR-TRE-2fd8122f-72
0.376
SAN-PRS-52b81272-2
0.375
MAR-TRE-7f7bb9f0-64
0.372
MAR-TRE-67513f76-83
0.372
MAK-UNK-c749d764-27
0.372
SAD-SAT-24589cd1-4
0.370
MAK-UNK-c749d764-17
0.368
MAR-TRE-9c797165-80
0.367
MAR-TRE-2fd8122f-30
0.367
MAR-TRE-9c797165-88
0.366
MAK-UNK-c749d764-13
0.366
MAK-UNK-a7b37c5e-4
0.365
ALE-HEI-f28a35b5-5
0.364
DAR-DIA-842b4336-11
0.364
DAR-DIA-842b4336-13
0.364
CHR-SOS-54d5cf3e-1
0.363
MAR-TRE-2fd8122f-78
0.362
ALE-HEI-f28a35b5-15
0.361
MAK-UNK-a7b37c5e-5
0.360
AUS-ARG-7cfdce8f-11
0.360
SAD-SAT-cefd50cc-6
0.360
DAR-DIA-23aa0b97-17
0.358
CHR-SOS-f7373dd1-4
0.358
MAR-TRE-74c6519b-54
0.357
DAR-DIA-842b4336-10
0.355
MAR-TRE-04c86cea-51
0.355
MAR-TRE-67513f76-84
0.355
CHR-SOS-f7373dd1-5
0.354
CHR-SOS-f7373dd1-6
0.353
MAR-TRE-4b834d9a-96
0.352
CHR-SOS-59746812-3
0.352
MAR-TRE-9c797165-57
0.352
MAR-TRE-2fd8122f-17
0.352
JOH-IMS-62aeb97d-3
0.351
MAK-UNK-a7b37c5e-1
0.351
DAR-DIA-23aa0b97-16
0.351
DAR-DIA-842b4336-14
0.350
MAR-TRE-f6f5f473-84
0.349
CHA-MCP-85291e1d-5
0.349
MAR-TRE-67513f76-87
0.349
CHR-SOS-f7373dd1-1
0.349
WIL-UNI-5578df48-17
0.349
MAR-TRE-2fd8122f-2
0.349
CHR-SOS-59746812-4
0.348
MAK-UNK-d1e89583-1
0.347
MED-UNK-e6e8ef8a-7
0.346
EDG-MED-0da5ad92-2
0.346
MAR-TRE-d0525fbf-91
0.346
CHR-SOS-f7373dd1-2
0.346
MAR-TRE-2fd8122f-57
0.346
FRA-FAC-9ed5a63a-4
0.346