Molecular Properties | |
SMILES: | O=C(CNC(=O)C1(n2cccn2)CCNCC1)Nc1cccnc1 |
MW: | 328.16 |
Fraction sp3: | 0.38 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 100.94 |
cLogP: | 0.11 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-1126493881 |
MolPort: | MolPort-045-583-969 |
Dipeptide
MAR-TRE-7f7bb9f0-38
0.743
MAR-TRE-74c6519b-17
0.544
MAR-TRE-67513f76-79
0.500
MAR-TRE-67513f76-61
0.494
MAR-TRE-b77b7921-74
0.481
MAR-TRE-3e4e6814-67
0.469
MAR-TRE-7f7bb9f0-46
0.456
MAR-TRE-7f7bb9f0-12
0.455
MAR-TRE-3e4e6814-62
0.451
MAR-TRE-9c797165-38
0.437
MAR-TRE-3e4e6814-49
0.435
MAR-TRE-04c86cea-81
0.434
MAR-TRE-67513f76-92
0.430
MAR-TRE-7f7bb9f0-97
0.424
MAR-TRE-b77b7921-77
0.422
MAR-TRE-74c6519b-91
0.422
MAR-TRE-b77b7921-71
0.419
MAR-TRE-7f7bb9f0-49
0.418
MAR-TRE-9c797165-47
0.417
MAR-TRE-67513f76-93
0.412
MAK-UNK-ca11b4f7-1
0.406
MAR-TRE-2fd8122f-60
0.405
MAR-TRE-7f7bb9f0-68
0.402
MAR-TRE-b77b7921-97
0.402
MAR-TRE-67513f76-81
0.397
DAR-DIA-842b4336-11
0.392
MED-UNK-e6e8ef8a-6
0.392
MAR-TRE-04c86cea-95
0.391
CHR-SOS-54d5cf3e-1
0.387
MAR-TRE-3e4e6814-59
0.386
JOH-IMS-62aeb97d-5
0.386
MAR-TRE-b77b7921-91
0.384
CHR-SOS-f7373dd1-5
0.383
MAR-TRE-74c6519b-68
0.382
MAR-TRE-04c86cea-86
0.381
MAR-TRE-2fd8122f-27
0.377
ALE-HEI-f28a35b5-5
0.375
CHR-SOS-f7373dd1-2
0.373
CHR-SOS-70e4c98a-6
0.373
ALE-HEI-f28a35b5-14
0.373
CHR-SOS-54d5cf3e-2
0.372
MAK-UNK-a7b37c5e-5
0.372
JOH-IMS-62aeb97d-4
0.372
CHR-SOS-f7373dd1-4
0.369
CHR-SOS-59746812-2
0.369
MAR-TRE-9c797165-94
0.368
WIL-UNI-1faa9b10-8
0.367
MAR-TRE-f6f5f473-36
0.366
CHR-SOS-59746812-6
0.365
CHR-SOS-70e4c98a-8
0.365
SAD-SAT-24589cd1-4
0.364
CHR-SOS-f7373dd1-6
0.364
FRA-FAC-9ed5a63a-1
0.362
AAR-POS-d2a4d1df-13
0.362
ALE-HEI-f28a35b5-9
0.362
CHR-SOS-54d5cf3e-3
0.361
WAR-XCH-e55cba98-10
0.361
CHR-SOS-59746812-1
0.360
CHR-SOS-f7373dd1-1
0.360
MAK-UNK-a7b37c5e-4
0.359
MED-UNK-e6e8ef8a-5
0.358
MAR-TRE-2fd8122f-78
0.357
MAR-TRE-7f7bb9f0-30
0.357
MAR-TRE-f6f5f473-58
0.357
NAU-LAT-64f4b287-10
0.356
ANT-DIA-3c79be55-5
0.356
CHR-SOS-59746812-5
0.356
CHR-SOS-70e4c98a-3
0.356
MAR-TRE-67513f76-13
0.356
MAR-TRE-f6f5f473-52
0.356
CHR-SOS-f7373dd1-3
0.356
CHR-SOS-b301fc01-2
0.356
AUS-ARG-7cfdce8f-11
0.354
MAR-TRE-7f7bb9f0-15
0.354
CHR-SOS-54d5cf3e-8
0.354
FRA-FAC-9ed5a63a-2
0.354
MED-UNK-e6e8ef8a-3
0.354
MED-UNK-e6e8ef8a-2
0.354
CHR-SOS-b301fc01-3
0.352
SAN-PRS-52b81272-2
0.351
CHR-SOS-54d5cf3e-4
0.351
MAR-TRE-04c86cea-51
0.351
DAR-DIA-842b4336-10
0.350
MAK-UNK-c749d764-27
0.349
CHR-SOS-70e4c98a-1
0.348
MAR-TRE-9c797165-57
0.348
MAR-TRE-2fd8122f-32
0.348
CHR-SOS-59746812-3
0.348
MAR-TRE-7f7bb9f0-81
0.348
MAR-TRE-2fd8122f-30
0.347
MAR-TRE-7f7bb9f0-72
0.347
MAK-UNK-a7b37c5e-1
0.346
MED-UNK-e6e8ef8a-4
0.345
MAR-TRE-7f7bb9f0-56
0.345
CHR-SOS-59746812-4
0.344
THO-SYG-f9b2970d-2
0.344
CHR-SOS-e960e883-3
0.344
CHR-SOS-b301fc01-5
0.344
MAR-TRE-04c86cea-53
0.343
DAR-DIA-842b4336-12
0.341