Molecular Properties | |
SMILES: | NC1(C(=O)NCc2ccc(C(=O)Nc3cccnc3)cc2)CCOCC1 |
MW: | 354.17 |
Fraction sp3: | 0.32 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 5 |
TPSA: | 106.34 |
cLogP: | 1.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-045-590-477 |
MAR-TRE-4b834d9a-92
0.598
MAR-TRE-04c86cea-90
0.582
MAR-TRE-4b834d9a-67
0.541
MAR-TRE-4b834d9a-24
0.534
KEI-TRE-d5e2018a-36
0.524
MAR-TRE-4b834d9a-71
0.517
MAR-TRE-f6f5f473-58
0.494
KEI-TRE-d5e2018a-32
0.494
MAR-TRE-3e4e6814-34
0.494
MAR-TRE-f6f5f473-75
0.471
MAR-TRE-f6f5f473-79
0.465
MAR-TRE-04c86cea-65
0.444
MAR-TRE-7f7bb9f0-81
0.425
KEI-TRE-d5e2018a-71
0.418
KEI-TRE-d5e2018a-91
0.411
KEI-TRE-d5e2018a-100
0.411
MAR-TRE-2fd8122f-58
0.405
KEI-TRE-d5e2018a-22
0.404
MAR-TRE-3e4e6814-45
0.404
NAU-LAT-445f63e5-6
0.402
MAR-TRE-2fd8122f-22
0.400
MAR-TRE-f6f5f473-36
0.396
CHR-SOS-7098f804-12
0.385
MAR-TRE-2fd8122f-31
0.385
KEI-TRE-d5e2018a-56
0.383
SAD-SAT-135344c3-2
0.378
KEI-TRE-d5e2018a-82
0.372
MAR-TRE-b77b7921-85
0.371
JOH-UNI-abdb2f0c-1
0.370
MAR-TRE-2fd8122f-34
0.367
MAR-TRE-2fd8122f-82
0.367
MAR-TRE-2fd8122f-65
0.363
MAR-TRE-f6f5f473-77
0.363
KEI-TRE-d5e2018a-90
0.362
WIL-UNI-5578df48-17
0.360
ANT-DIA-3c79be55-4
0.357
MAR-TRE-2fd8122f-15
0.355
MAR-TRE-b77b7921-70
0.355
MAK-UNK-009ebe36-4
0.354
WIL-UNI-5578df48-15
0.353
MAR-TRE-2fd8122f-24
0.351
KEI-TRE-d5e2018a-83
0.351
MAR-TRE-fd17a9b8-62
0.348
KEI-TRE-d5e2018a-61
0.347
MAR-TRE-3e4e6814-92
0.347
MAR-TRE-2fd8122f-89
0.344
MAR-TRE-2fd8122f-7
0.344
SAD-SAT-135344c3-1
0.344
MED-UNK-e6e8ef8a-6
0.341
ANT-DIA-3c79be55-5
0.341
MAR-TRE-2fd8122f-60
0.341
KEI-TRE-d5e2018a-28
0.341
MAR-TRE-f6f5f473-29
0.341
KEI-TRE-d5e2018a-10
0.340
KEI-TRE-d5e2018a-52
0.340
KEI-TRE-d5e2018a-58
0.340
MAR-TRE-4b834d9a-43
0.340
MAR-TRE-7f7bb9f0-82
0.340
MAR-TRE-67513f76-81
0.338
ALE-HEI-f28a35b5-15
0.338
LON-WEI-120e5cf5-11
0.337
MAK-UNK-10dfa458-31
0.337
MAR-TRE-c317dd82-59
0.337
MAR-TRE-67513f76-51
0.337
JOH-UNI-abdb2f0c-2
0.337
KEI-TRE-d5e2018a-53
0.333
CHR-SOS-7098f804-18
0.333
SAN-PRS-52b81272-2
0.333
CHR-SOS-f7373dd1-5
0.333
KEI-TRE-d5e2018a-9
0.330
KEI-TRE-d5e2018a-13
0.330
SAD-SAT-135344c3-9
0.330
MAK-UNK-129dcd6f-12
0.330
CHR-SOS-59746812-1
0.330
MAK-UNK-c749d764-13
0.330
MAK-UNK-c749d764-17
0.329
SAD-SAT-24589cd1-4
0.329
MAK-UNK-ca11b4f7-1
0.329
JOH-IMS-62aeb97d-5
0.329
MAR-TRE-2fd8122f-41
0.327
KEI-TRE-d5e2018a-86
0.326
MAK-UNK-009ebe36-8
0.326
CHR-SOS-59746812-5
0.326
CHR-SOS-f7373dd1-2
0.326
CHR-SOS-70e4c98a-6
0.326
PET-SGC-1fc12be1-1
0.326
DAR-DIA-842b4336-11
0.325
MAK-UNK-d1e89583-1
0.325
MAK-UNK-a7b37c5e-4
0.325
MAR-TRE-2fd8122f-27
0.325
BAR-COM-21d20d65-1
0.323
MAR-TRE-2fd8122f-36
0.323
MAR-TRE-2fd8122f-76
0.323
WIL-UNI-5578df48-28
0.322
MAR-TRE-b77b7921-91
0.322
MAR-TRE-04c86cea-81
0.322
MAK-UNK-d1e89583-9
0.322
CHR-SOS-f7373dd1-4
0.322
CHR-SOS-59746812-2
0.322
MAR-TRE-7f7bb9f0-46
0.322