Molecular Properties | |
SMILES: | O=C(CCC(=O)Nc1cccnc1)NCc1ccco1 |
MW: | 273.11 |
Fraction sp3: | 0.21 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 84.23 |
cLogP: | 1.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3539690545 |
MolPort: | MolPort-002-931-247 |
Long aliphatic chain
MAR-TRE-9c797165-8
0.542
ALE-HEI-f28a35b5-14
0.492
MAK-UNK-ca11b4f7-1
0.467
MAR-TRE-67513f76-81
0.458
JOH-IMS-62aeb97d-5
0.443
MAR-TRE-2fd8122f-60
0.434
MAR-TRE-3e4e6814-50
0.427
SAN-PRS-52b81272-2
0.418
MAR-TRE-2fd8122f-72
0.412
MAR-TRE-3e4e6814-59
0.412
MAR-TRE-3e4e6814-67
0.410
MAR-TRE-9c797165-10
0.410
MAR-TRE-2fd8122f-95
0.409
MAR-TRE-04c86cea-97
0.408
MAR-TRE-3e4e6814-28
0.407
MAK-UNK-d1e89583-1
0.406
DAR-DIA-842b4336-12
0.403
DAR-DIA-842b4336-13
0.403
AUS-ARG-7cfdce8f-11
0.400
MAR-TRE-04c86cea-31
0.400
MAR-TRE-9c797165-48
0.395
MAK-UNK-d1e89583-9
0.395
MAR-TRE-74c6519b-47
0.395
DAR-DIA-842b4336-10
0.394
MAR-TRE-04c86cea-81
0.392
SAD-SAT-24589cd1-4
0.391
MAK-UNK-a7b37c5e-1
0.389
MAR-TRE-9c797165-31
0.389
MAK-UNK-c749d764-17
0.389
MAR-TRE-b77b7921-74
0.388
DAR-DIA-842b4336-14
0.387
KEI-TRE-d5e2018a-83
0.386
MAK-UNK-a7b37c5e-4
0.386
MAR-TRE-7f7bb9f0-81
0.386
MAR-TRE-74c6519b-81
0.386
DAR-DIA-842b4336-11
0.384
ALE-HEI-f28a35b5-5
0.384
EDG-MED-0da5ad92-2
0.384
ALE-HEI-f28a35b5-15
0.382
MAR-TRE-04c86cea-93
0.381
MAK-UNK-a7b37c5e-5
0.380
AAR-POS-d2a4d1df-11
0.379
DAR-DIA-842b4336-16
0.378
MAK-UNK-a7b37c5e-2
0.378
MAR-TRE-b77b7921-80
0.378
KAL-WAB-eb347ebe-1
0.377
MAR-TRE-7f7bb9f0-82
0.376
CHA-MCP-85291e1d-4
0.375
MAR-TRE-74c6519b-54
0.375
MAR-TRE-7f7bb9f0-15
0.375
MAR-TRE-7f7bb9f0-49
0.373
MAK-UNK-c749d764-27
0.373
CHR-SOS-70e4c98a-8
0.372
ALE-HEI-f28a35b5-9
0.370
DAR-DIA-23aa0b97-16
0.370
AAR-POS-d2a4d1df-13
0.370
FRA-FAC-9ed5a63a-1
0.370
KEI-TRE-d5e2018a-68
0.369
KEI-TRE-d5e2018a-92
0.369
MAR-TRE-9c797165-57
0.369
MAR-TRE-67513f76-93
0.368
MAR-TRE-4b834d9a-97
0.368
MAK-UNK-c749d764-13
0.367
MAR-TRE-74c6519b-58
0.366
DAR-DIA-842b4336-7
0.365
DAR-DIA-842b4336-8
0.365
MED-UNK-e6e8ef8a-6
0.365
MED-UNK-e6e8ef8a-5
0.365
MAR-TRE-3e4e6814-61
0.365
MAR-TRE-d0525fbf-91
0.364
CHR-SOS-70e4c98a-6
0.364
MAR-TRE-2fd8122f-78
0.364
MAR-TRE-04c86cea-64
0.364
MAR-TRE-7f7bb9f0-38
0.364
CHR-SOS-70e4c98a-3
0.362
WIL-UNI-5578df48-2
0.362
MAR-TRE-7f7bb9f0-68
0.361
MAR-TRE-74c6519b-17
0.361
MAR-TRE-9c797165-12
0.361
MAR-TRE-d0525fbf-65
0.361
MAR-TRE-3e4e6814-100
0.360
FRA-FAC-9ed5a63a-2
0.360
MED-UNK-e6e8ef8a-3
0.360
MED-UNK-e6e8ef8a-2
0.360
MAR-TRE-9c797165-87
0.360
MAR-TRE-4b834d9a-82
0.360
MAR-TRE-fd17a9b8-39
0.360
MAK-UNK-ca11b4f7-3
0.359
MAK-UNK-ca11b4f7-2
0.359
MAR-TRE-67513f76-73
0.359
DAR-DIA-842b4336-15
0.359
CHR-SOS-f7373dd1-4
0.359
MAR-TRE-b77b7921-91
0.358
MAR-TRE-2fd8122f-54
0.357
MAR-TRE-74c6519b-42
0.357
DAR-DIA-842b4336-1
0.357
SAN-PRS-52b81272-3
0.357
CHR-SOS-f7373dd1-5
0.355
MAR-TRE-7f7bb9f0-74
0.355
CHR-SOS-70e4c98a-1
0.354