Molecular Properties | |
SMILES: | N[C@@H]1CC[C@@H](C(=O)NCC(=O)Nc2cccnc2)C1 |
MW: | 262.14 |
Fraction sp3: | 0.46 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 4 |
TPSA: | 97.11 |
cLogP: | 0.26 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Dipeptide
MAR-TRE-b77b7921-97
0.810
MAR-TRE-b77b7921-71
0.583
MAR-TRE-7f7bb9f0-97
0.548
MAR-TRE-3e4e6814-62
0.542
MAR-TRE-3e4e6814-67
0.521
MAR-TRE-74c6519b-17
0.520
MAR-TRE-7f7bb9f0-49
0.507
MAR-TRE-3e4e6814-49
0.500
MAR-TRE-9c797165-38
0.500
MAR-TRE-04c86cea-95
0.500
MAR-TRE-b77b7921-74
0.493
MAR-TRE-67513f76-93
0.479
MAR-TRE-7f7bb9f0-12
0.463
MAR-TRE-7f7bb9f0-68
0.462
MAR-TRE-04c86cea-81
0.461
JOH-IMS-62aeb97d-5
0.459
MED-UNK-e6e8ef8a-2
0.451
FRA-FAC-9ed5a63a-2
0.451
MED-UNK-e6e8ef8a-3
0.451
MAR-TRE-67513f76-81
0.450
ALE-HEI-f28a35b5-9
0.443
FRA-FAC-9ed5a63a-1
0.443
AAR-POS-d2a4d1df-13
0.443
MAR-TRE-67513f76-92
0.438
MAK-UNK-ca11b4f7-1
0.435
MAR-TRE-b77b7921-77
0.429
MAR-TRE-2fd8122f-60
0.429
MAR-TRE-3e4e6814-59
0.425
MAR-TRE-b77b7921-80
0.425
MAR-TRE-7f7bb9f0-8
0.422
MAR-TRE-2fd8122f-27
0.420
ALE-HEI-f28a35b5-14
0.418
MED-UNK-e6e8ef8a-5
0.417
MAR-TRE-9c797165-48
0.407
MAK-UNK-a7b37c5e-1
0.403
WIL-UNI-1faa9b10-8
0.402
MAR-TRE-74c6519b-68
0.402
MED-UNK-e6e8ef8a-4
0.400
MAR-TRE-74c6519b-81
0.398
MAK-UNK-c749d764-13
0.397
MED-UNK-e6e8ef8a-6
0.397
WIL-UNI-5578df48-17
0.395
AUS-ARG-7cfdce8f-11
0.394
NAU-LAT-64f4b287-10
0.392
DAR-DIA-842b4336-16
0.392
MAK-UNK-a7b37c5e-2
0.392
SAN-PRS-52b81272-2
0.391
MAR-TRE-9c797165-47
0.391
LON-WEI-120e5cf5-11
0.390
CHR-SOS-f7373dd1-4
0.390
SAD-SAT-cefd50cc-6
0.388
CHR-SOS-f7373dd1-5
0.387
MAK-UNK-c749d764-27
0.387
SAD-SAT-24589cd1-4
0.386
MAR-TRE-04c86cea-40
0.385
MAR-TRE-04c86cea-51
0.382
MAR-TRE-9c797165-80
0.382
MAK-UNK-a7b37c5e-4
0.380
CHR-SOS-f7373dd1-1
0.380
MAR-TRE-04c86cea-31
0.379
MAR-TRE-2fd8122f-30
0.379
DAR-DIA-842b4336-13
0.378
DAR-DIA-842b4336-11
0.378
DAR-DIA-842b4336-12
0.378
ALE-HEI-f28a35b5-5
0.378
CHR-SOS-f7373dd1-2
0.377
MAR-TRE-2fd8122f-78
0.377
MAK-UNK-a7b37c5e-5
0.375
MAR-TRE-7f7bb9f0-82
0.372
MAR-TRE-67513f76-73
0.372
MAR-TRE-74c6519b-54
0.370
MAR-TRE-b77b7921-91
0.370
DAR-DIA-842b4336-10
0.370
MAR-TRE-b77b7921-53
0.369
KEI-TRE-d5e2018a-77
0.369
CHR-SOS-f7373dd1-6
0.366
DAR-DIA-23aa0b97-16
0.365
MAK-UNK-c749d764-17
0.365
MAR-TRE-7f7bb9f0-56
0.364
MAK-UNK-b2c98f02-9
0.363
MAR-TRE-9c797165-52
0.362
MAR-TRE-d0525fbf-90
0.362
MAR-TRE-2fd8122f-2
0.361
MAK-UNK-d1e89583-1
0.361
MAR-TRE-3e4e6814-47
0.360
EDG-MED-0da5ad92-2
0.360
CHR-SOS-54d5cf3e-2
0.360
MAR-TRE-d0525fbf-91
0.359
MAR-TRE-2fd8122f-57
0.359
CHR-SOS-70e4c98a-6
0.359
MAR-TRE-67513f76-13
0.358
MAR-TRE-2fd8122f-72
0.357
CHR-SOS-f7373dd1-3
0.357
MAR-TRE-7f7bb9f0-33
0.357
ALE-HEI-f28a35b5-15
0.357
DAR-DIA-23aa0b97-17
0.354
MAR-TRE-7f7bb9f0-46
0.354
MAR-TRE-74c6519b-47
0.354
CHR-SOS-59746812-2
0.354
MAK-UNK-ca11b4f7-2
0.354