Molecular Properties | |
SMILES: | O=C(CC[C@H]1CCNC1)NCC(=O)Nc1cccnc1 |
MW: | 276.16 |
Fraction sp3: | 0.5 |
HBA: | 4 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 83.12 |
cLogP: | 0.53 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
Dipeptide
MAR-TRE-b77b7921-74
0.794
MAR-TRE-3e4e6814-59
0.742
MAR-TRE-b77b7921-77
0.571
MAR-TRE-3e4e6814-49
0.533
MAR-TRE-74c6519b-91
0.521
MAR-TRE-3e4e6814-62
0.514
MAR-TRE-74c6519b-17
0.494
MAR-TRE-04c86cea-81
0.493
MAR-TRE-9c797165-47
0.483
MAR-TRE-f6f5f473-58
0.482
MAR-TRE-f6f5f473-36
0.481
MAR-TRE-7f7bb9f0-49
0.479
ALE-HEI-f28a35b5-14
0.477
MAR-TRE-b77b7921-97
0.474
MAR-TRE-7f7bb9f0-8
0.469
MAR-TRE-7f7bb9f0-97
0.462
MAR-TRE-2fd8122f-60
0.461
MAR-TRE-04c86cea-95
0.458
MAR-TRE-7f7bb9f0-12
0.458
MAR-TRE-9c797165-38
0.457
MAR-TRE-b77b7921-71
0.456
MAR-TRE-7f7bb9f0-68
0.456
MAR-TRE-67513f76-93
0.452
MAR-TRE-04c86cea-53
0.448
MAR-TRE-74c6519b-69
0.447
MAR-TRE-67513f76-81
0.443
MAR-TRE-04c86cea-51
0.442
ALE-HEI-f28a35b5-9
0.437
AAR-POS-d2a4d1df-13
0.437
FRA-FAC-9ed5a63a-1
0.437
MAR-TRE-67513f76-92
0.432
MAK-UNK-ca11b4f7-1
0.429
JOH-IMS-62aeb97d-5
0.429
MAR-TRE-3e4e6814-81
0.427
MED-UNK-e6e8ef8a-2
0.425
FRA-FAC-9ed5a63a-2
0.425
MED-UNK-e6e8ef8a-3
0.425
SAD-SAT-24589cd1-4
0.420
CHR-SOS-54d5cf3e-1
0.419
WIL-UNI-1faa9b10-8
0.415
MAR-TRE-74c6519b-68
0.415
MED-UNK-e6e8ef8a-5
0.411
MAR-TRE-67513f76-87
0.410
MAR-TRE-3e4e6814-88
0.407
MAR-TRE-74c6519b-95
0.407
MAR-TRE-7f7bb9f0-46
0.403
MAR-TRE-b77b7921-80
0.402
MAR-TRE-9c797165-48
0.402
MAR-TRE-7f7bb9f0-38
0.402
MAR-TRE-7f7bb9f0-30
0.400
MAR-TRE-7f7bb9f0-82
0.400
MAR-TRE-7f7bb9f0-15
0.398
MED-UNK-e6e8ef8a-4
0.395
MAR-TRE-2fd8122f-27
0.394
MAR-TRE-2fd8122f-20
0.393
MAR-TRE-74c6519b-81
0.393
ALE-HEI-f28a35b5-5
0.392
MAR-TRE-04c86cea-31
0.391
MAR-TRE-4b834d9a-77
0.391
MAK-UNK-a7b37c5e-5
0.389
AUS-ARG-7cfdce8f-11
0.389
CHR-SOS-54d5cf3e-3
0.389
WAR-XCH-e55cba98-10
0.389
MAR-TRE-74c6519b-49
0.388
SAN-PRS-52b81272-2
0.386
MAR-TRE-2fd8122f-72
0.386
CHR-SOS-f7373dd1-4
0.385
MAR-TRE-74c6519b-54
0.383
MAR-TRE-7f7bb9f0-81
0.376
MAR-TRE-9c797165-57
0.376
MAK-UNK-c749d764-13
0.375
CHR-SOS-f7373dd1-1
0.375
MAR-TRE-2fd8122f-62
0.375
MAK-UNK-a7b37c5e-4
0.375
DAR-DIA-842b4336-11
0.373
DAR-DIA-842b4336-12
0.373
MED-UNK-e6e8ef8a-6
0.373
MAR-TRE-3e4e6814-47
0.372
CHR-SOS-70e4c98a-6
0.372
NAU-LAT-64f4b287-10
0.370
JOH-IMS-62aeb97d-4
0.370
MAR-TRE-7f7bb9f0-33
0.369
MAR-TRE-9c797165-12
0.369
MAR-TRE-d0525fbf-64
0.369
DAR-DIA-842b4336-16
0.368
MAK-UNK-a7b37c5e-2
0.368
SAD-SAT-cefd50cc-6
0.368
MAR-TRE-67513f76-73
0.367
DAR-DIA-23aa0b97-17
0.367
MAR-TRE-2fd8122f-83
0.367
DAR-DIA-842b4336-10
0.365
MAR-TRE-b77b7921-53
0.365
MAR-TRE-3e4e6814-28
0.365
KEI-TRE-d5e2018a-77
0.365
MAK-UNK-c749d764-27
0.364
CHR-SOS-f7373dd1-5
0.364
MAR-TRE-3e4e6814-50
0.362
MAR-TRE-04c86cea-97
0.362
CHR-SOS-70e4c98a-8
0.362
KEI-TRE-d5e2018a-92
0.360