Molecular Properties | |
SMILES: | NCC1(C(=O)NCCC(=O)Nc2cccnc2)CCOCC1 |
MW: | 306.17 |
Fraction sp3: | 0.53 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 106.34 |
cLogP: | 0.28 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-045-584-617 |
Long aliphatic chain
MAR-TRE-7f7bb9f0-82
0.531
MAR-TRE-7f7bb9f0-38
0.512
MAR-TRE-9c797165-48
0.500
MAR-TRE-b77b7921-80
0.481
MAR-TRE-74c6519b-81
0.470
MAR-TRE-3e4e6814-59
0.463
MAR-TRE-9c797165-57
0.452
ALE-HEI-f28a35b5-14
0.443
MAR-TRE-4b834d9a-57
0.425
JOH-IMS-62aeb97d-5
0.418
MAK-UNK-ca11b4f7-1
0.418
MAR-TRE-7f7bb9f0-46
0.412
MAR-TRE-b77b7921-85
0.412
MAR-TRE-04c86cea-81
0.410
MAR-TRE-67513f76-81
0.409
MAR-TRE-7f7bb9f0-15
0.407
MED-UNK-e6e8ef8a-6
0.403
MAR-TRE-d0525fbf-75
0.396
NAU-LAT-445f63e5-6
0.395
MAK-UNK-a7b37c5e-4
0.387
MAR-TRE-67513f76-87
0.386
MAR-TRE-7f7bb9f0-97
0.384
ALE-HEI-f28a35b5-15
0.384
DAR-DIA-842b4336-16
0.380
CHR-SOS-70e4c98a-11
0.379
MAR-TRE-3e4e6814-67
0.376
CHR-SOS-f7373dd1-5
0.375
SAD-SAT-24589cd1-4
0.373
MAR-TRE-b77b7921-81
0.373
MAR-TRE-b77b7921-74
0.372
MED-UNK-e6e8ef8a-4
0.370
DAR-DIA-842b4336-11
0.367
MED-UNK-e6e8ef8a-5
0.367
CHR-SOS-70e4c98a-6
0.366
MAR-TRE-2fd8122f-78
0.366
CHR-SOS-f7373dd1-2
0.366
MAK-UNK-a7b37c5e-5
0.364
MAR-TRE-74c6519b-17
0.364
MAR-TRE-2fd8122f-72
0.364
AUS-ARG-7cfdce8f-11
0.364
MED-UNK-e6e8ef8a-2
0.362
MED-UNK-e6e8ef8a-3
0.362
FRA-FAC-9ed5a63a-2
0.362
CHR-SOS-f7373dd1-4
0.361
CHR-SOS-59746812-2
0.361
CHA-MCP-85291e1d-4
0.360
SAN-PRS-52b81272-2
0.360
MAR-TRE-7f7bb9f0-49
0.358
MAR-TRE-7f7bb9f0-74
0.358
MAR-TRE-4b834d9a-92
0.358
CHR-SOS-70e4c98a-8
0.357
MAR-TRE-2fd8122f-35
0.357
MAR-TRE-3e4e6814-50
0.357
MAR-TRE-04c86cea-97
0.357
HAR-NEW-e34cb1ae-7
0.357
CHR-SOS-59746812-6
0.357
CHR-SOS-70e4c98a-2
0.355
MAR-TRE-2fd8122f-94
0.355
FRA-FAC-9ed5a63a-1
0.354
AAR-POS-d2a4d1df-13
0.354
MAK-UNK-a7b37c5e-1
0.354
ALE-HEI-f28a35b5-9
0.354
MAR-TRE-67513f76-93
0.354
CHR-SOS-59746812-1
0.353
WIL-UNI-5578df48-14
0.353
CHR-SOS-f7373dd1-1
0.353
MAR-TRE-67513f76-38
0.352
MAR-TRE-74c6519b-58
0.352
CHR-SOS-70e4c98a-5
0.352
MAR-TRE-b77b7921-52
0.352
DAR-DIA-842b4336-13
0.350
EDG-MED-0da5ad92-2
0.350
DAR-DIA-842b4336-12
0.350
PET-SGC-1fc12be1-1
0.349
CHR-SOS-70e4c98a-3
0.349
CHR-SOS-59746812-5
0.349
MAR-TRE-2fd8122f-99
0.349
MAR-TRE-74c6519b-91
0.349
PET-SGC-d0156db4-2
0.348
MAR-TRE-f6f5f473-52
0.348
MAR-TRE-7f7bb9f0-8
0.348
CHR-SOS-70e4c98a-7
0.348
DAR-DIA-842b4336-15
0.345
MAR-TRE-7f7bb9f0-94
0.345
MAR-TRE-67513f76-73
0.345
WIL-UNI-5578df48-15
0.345
MAR-TRE-3e4e6814-62
0.345
MAR-TRE-b77b7921-91
0.345
MAR-TRE-67513f76-92
0.344
MAR-TRE-3e4e6814-28
0.344
WIL-UNI-1faa9b10-8
0.344
MAR-TRE-74c6519b-42
0.344
MAR-TRE-f6f5f473-36
0.344
MAR-TRE-b77b7921-83
0.343
MAK-UNK-ca11b4f7-3
0.343
DAR-DIA-842b4336-10
0.342
MAR-TRE-7f7bb9f0-90
0.341
CHR-SOS-70e4c98a-1
0.341
CHR-SOS-f7373dd1-6
0.341
KEI-TRE-d5e2018a-68
0.341