Molecular Properties | |
SMILES: | O=C(Nc1cccnc1)C1CC(=O)N(c2cccc(C(F)(F)F)c2)C1 |
MW: | 349.1 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 62.3 |
cLogP: | 3.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z52061800 |
Mcule: | MCULE-2757288126 |
MolPort: | MolPort-006-816-552 |
ALE-HEI-f28a35b5-9
MAR-TRE-2fd8122f-42
0.593
KEI-TRE-d5e2018a-15
0.588
MAR-TRE-7f7bb9f0-18
0.588
KEI-TRE-d5e2018a-30
0.581
MAR-TRE-2fd8122f-92
0.581
MAR-TRE-7f7bb9f0-27
0.581
KEI-TRE-d5e2018a-97
0.547
KEI-TRE-d5e2018a-49
0.500
MAR-TRE-2fd8122f-27
0.429
MAR-TRE-2fd8122f-64
0.415
MAR-TRE-2fd8122f-74
0.410
MAR-TRE-7f7bb9f0-21
0.391
MAR-TRE-7f7bb9f0-13
0.388
MAR-TRE-2fd8122f-18
0.386
LON-WEI-120e5cf5-11
0.384
MAR-TRE-d0525fbf-90
0.375
MAR-TRE-2fd8122f-39
0.372
MAR-TRE-2fd8122f-13
0.370
MAR-TRE-04c86cea-17
0.368
MAR-TRE-2fd8122f-87
0.366
MAR-TRE-04c86cea-35
0.365
MAR-TRE-f6f5f473-23
0.365
MAR-TRE-04c86cea-46
0.362
MAR-TRE-9c797165-80
0.360
MAR-TRE-74c6519b-51
0.355
MAR-TRE-2fd8122f-8
0.354
MAR-TRE-2fd8122f-48
0.350
MAR-TRE-04c86cea-49
0.347
MAR-TRE-2fd8122f-81
0.345
MAR-TRE-f6f5f473-84
0.344
MAR-TRE-2fd8122f-50
0.344
MAR-TRE-2fd8122f-59
0.343
KEI-TRE-d5e2018a-73
0.340
MAR-TRE-2fd8122f-29
0.337
MAR-TRE-2fd8122f-19
0.337
MAR-TRE-d0525fbf-54
0.337
MAR-TRE-74c6519b-66
0.336
MAR-TRE-9c797165-77
0.333
MAR-TRE-2fd8122f-33
0.333
MAR-TRE-3e4e6814-54
0.333
WIL-UNI-5578df48-19
0.330
MAK-UNK-c8c8f7e2-43
0.329
MAR-TRE-799db12b-1
0.327
WIL-UNI-5578df48-21
0.326
MAR-TRE-2fd8122f-75
0.324
KEI-TRE-d5e2018a-38
0.324
MAR-TRE-2fd8122f-6
0.320
MAR-TRE-2fd8122f-10
0.320
MAR-TRE-4b834d9a-42
0.320
MAK-UNK-5d2caa6f-1
0.319
MAK-UNK-ca11b4f7-3
0.316
JOH-IMS-62aeb97d-3
0.314
JAG-UCB-a3ef7265-7
0.312
WIL-UNI-5578df48-22
0.311
MAR-TRE-2fd8122f-77
0.309
MAR-TRE-67513f76-20
0.309
MAR-TRE-7f7bb9f0-86
0.308
KEI-TRE-d5e2018a-62
0.308
MAR-TRE-9c797165-46
0.307
MED-UNK-e6e8ef8a-2
0.307
FRA-FAC-9ed5a63a-2
0.307
WAR-XCH-eb7b662f-6
0.306
MAR-TRE-2fd8122f-7
0.303
MAR-TRE-3e4e6814-45
0.303
MAR-TRE-67513f76-81
0.303
CHR-SOS-7098f804-12
0.302
SAN-PRS-52b81272-3
0.301
CHR-SOS-7098f804-14
0.301
MAR-TRE-f6f5f473-78
0.300
MAR-TRE-2fd8122f-72
0.299
FRA-FAC-9ed5a63a-1
0.299
ALE-HEI-f28a35b5-9
0.299
MAK-UNK-c749d764-17
0.299
JOH-IMS-62aeb97d-1
0.299
AAR-POS-d2a4d1df-13
0.299
KEI-TRE-d5e2018a-90
0.299
MAK-UNK-ca11b4f7-2
0.299
MAK-UNK-009ebe36-7
0.298
WAR-XCH-eb7b662f-3
0.298
SAD-SAT-689b7d5a-3
0.297
FRA-FAC-9ed5a63a-4
0.297
MAR-TRE-2fd8122f-57
0.297
JOR-UNI-2fc98d0b-8
0.296
CHR-SOS-363cfb78-1
0.295
EDG-MED-0da5ad92-2
0.295
MED-UNK-e6e8ef8a-7
0.295
DAR-DIA-842b4336-11
0.295
FRA-FAC-9ed5a63a-3
0.295
JOH-IMS-62aeb97d-5
0.295
MAK-UNK-ca11b4f7-1
0.295
CHR-SOS-7098f804-13
0.295
MAR-TRE-4b834d9a-31
0.295
DAR-DIA-842b4336-2
0.294
ANN-UNI-26382800-5
0.293
DAR-DIA-23aa0b97-17
0.293
FAR-UNI-736b943a-6
0.292
CHR-SOS-7098f804-11
0.292
MED-UNK-e6e8ef8a-3
0.292
SAD-SAT-2fd372d1-7
0.292
WAR-XCH-eb7b662f-1
0.292