Molecular Properties | |
SMILES: | COc1ccc(C2C(C(=O)Nc3cccnc3)CC(=O)N2C)cc1 |
MW: | 325.14 |
Fraction sp3: | 0.28 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 71.53 |
cLogP: | 2.25 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1217298109 |
MAR-TRE-74c6519b-51
0.754
MAR-TRE-2fd8122f-48
0.688
MAR-TRE-2fd8122f-75
0.675
MAR-TRE-2fd8122f-87
0.529
MAR-TRE-2fd8122f-64
0.488
MAR-TRE-b77b7921-72
0.483
KEI-TRE-d5e2018a-49
0.461
MAR-TRE-2fd8122f-42
0.459
MAR-TRE-67513f76-20
0.439
MAR-TRE-7f7bb9f0-16
0.434
KEI-TRE-d5e2018a-27
0.434
MAR-TRE-7f7bb9f0-90
0.420
MAR-TRE-2fd8122f-27
0.419
MAR-TRE-2fd8122f-74
0.417
MAK-UNK-5d2caa6f-1
0.400
MAR-TRE-f6f5f473-84
0.398
KEI-TRE-d5e2018a-67
0.396
MAR-TRE-4b834d9a-26
0.394
KEI-TRE-d5e2018a-15
0.386
MAR-TRE-7f7bb9f0-18
0.386
MAR-TRE-2fd8122f-12
0.385
MAR-TRE-2fd8122f-79
0.383
MAR-TRE-2fd8122f-81
0.383
KEI-TRE-d5e2018a-92
0.382
KEI-TRE-d5e2018a-57
0.381
MAR-TRE-d0525fbf-90
0.381
KEI-TRE-d5e2018a-97
0.376
MAR-TRE-2fd8122f-13
0.375
MAR-TRE-b77b7921-85
0.375
LON-WEI-120e5cf5-11
0.373
KEI-TRE-d5e2018a-38
0.368
MAR-TRE-04c86cea-46
0.367
MAR-TRE-74c6519b-66
0.366
KEI-TRE-d5e2018a-34
0.363
MAR-TRE-3e4e6814-6
0.363
ALE-HEI-f28a35b5-16
0.359
MAR-TRE-04c86cea-17
0.359
MAR-TRE-2fd8122f-44
0.356
MAR-TRE-67513f76-55
0.356
MAR-TRE-f6f5f473-23
0.355
AGN-NEW-891393a6-1
0.353
MAR-TRE-2fd8122f-28
0.352
MAR-TRE-d0525fbf-55
0.351
MAR-TRE-9c797165-80
0.349
KEI-TRE-d5e2018a-80
0.348
KEI-TRE-d5e2018a-84
0.347
MAR-TRE-2fd8122f-59
0.347
DAR-DIA-842b4336-2
0.346
FRA-FAC-9ed5a63a-4
0.345
MAR-TRE-2fd8122f-18
0.345
JAG-UCB-a3ef7265-7
0.345
MAR-TRE-2fd8122f-97
0.345
MAK-UNK-009ebe36-3
0.344
KEI-TRE-d5e2018a-73
0.344
KEI-TRE-d5e2018a-88
0.344
KEI-TRE-d5e2018a-94
0.344
MAR-TRE-74c6519b-56
0.344
JAN-GHE-4287bd1a-9
0.341
MAR-TRE-9c797165-46
0.341
SAD-SAT-689b7d5a-8
0.341
MAR-TRE-2fd8122f-77
0.341
MAR-TRE-2fd8122f-19
0.340
MAR-TRE-2fd8122f-29
0.340
MAR-TRE-04c86cea-35
0.340
SAD-SAT-135344c3-5
0.340
KEI-TRE-d5e2018a-95
0.340
MAR-TRE-d0525fbf-92
0.340
MAK-UNK-ca11b4f7-3
0.338
SAN-PRS-52b81272-3
0.338
MAR-TRE-3e4e6814-50
0.337
MAR-TRE-3e4e6814-54
0.337
MAR-TRE-3e4e6814-79
0.337
MAR-TRE-04c86cea-49
0.337
MAR-TRE-2fd8122f-92
0.337
MAR-TRE-7f7bb9f0-27
0.337
KEI-TRE-d5e2018a-30
0.337
JOH-IMS-62aeb97d-5
0.333
JOH-IMS-62aeb97d-2
0.333
SAD-SAT-689b7d5a-9
0.333
MAR-TRE-2fd8122f-38
0.333
WIL-UNI-5578df48-5
0.333
DAR-DIA-842b4336-6
0.333
MAR-TRE-9c797165-52
0.333
MAR-TRE-f6f5f473-78
0.333
MAR-TRE-7f7bb9f0-6
0.330
MAR-TRE-4b834d9a-73
0.330
SAD-SAT-135344c3-4
0.330
AUS-ARG-7cfdce8f-2
0.330
KEI-TRE-d5e2018a-99
0.330
MAR-TRE-67513f76-32
0.330
MED-UNK-e6e8ef8a-7
0.329
MED-UNK-e6e8ef8a-1
0.329
DAR-DIA-842b4336-11
0.329
DAR-DIA-842b4336-7
0.329
DAR-DIA-842b4336-8
0.329
MAR-TRE-a9136c7b-47
0.326
KEI-TRE-d5e2018a-19
0.326
RAL-MED-9a5eb9cb-7
0.326
MAR-TRE-7f7bb9f0-46
0.326
MED-UNK-e6e8ef8a-3
0.325