Molecular Properties | |
SMILES: | COc1cccc(C2C(C(=O)Nc3cccnc3)CC(=O)N2C2CC2)c1 |
MW: | 351.16 |
Fraction sp3: | 0.35 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 5 |
TPSA: | 71.53 |
cLogP: | 2.78 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z1601637796 |
Mcule: | MCULE-7595076148 |
MAR-TRE-2fd8122f-48
0.759
MAR-TRE-2fd8122f-50
0.529
MAR-TRE-74c6519b-51
0.477
MAR-TRE-2fd8122f-75
0.474
MAR-TRE-2fd8122f-42
0.446
KEI-TRE-d5e2018a-49
0.418
MAR-TRE-2fd8122f-64
0.398
MAR-TRE-2fd8122f-74
0.381
MAR-TRE-67513f76-20
0.380
MAR-TRE-7f7bb9f0-18
0.379
KEI-TRE-d5e2018a-15
0.379
MAR-TRE-2fd8122f-27
0.373
KEI-TRE-d5e2018a-94
0.366
MAR-TRE-2fd8122f-12
0.365
MAK-UNK-5d2caa6f-1
0.362
MAR-TRE-2fd8122f-81
0.360
MAR-TRE-f6f5f473-84
0.359
MAR-TRE-2fd8122f-97
0.355
LON-WEI-120e5cf5-11
0.352
MAR-TRE-67513f76-55
0.351
MAR-TRE-74c6519b-66
0.349
MAR-TRE-7f7bb9f0-90
0.348
MAR-TRE-3e4e6814-79
0.347
KEI-TRE-d5e2018a-97
0.343
MAR-TRE-2fd8122f-44
0.337
MAR-TRE-2fd8122f-77
0.337
AGN-NEW-891393a6-1
0.333
MAR-TRE-2fd8122f-28
0.333
MAR-TRE-7f7bb9f0-27
0.333
MAR-TRE-2fd8122f-92
0.333
KEI-TRE-d5e2018a-30
0.333
MAR-TRE-3e4e6814-6
0.330
KEI-TRE-d5e2018a-34
0.330
MAR-TRE-d0525fbf-90
0.330
MAR-TRE-2fd8122f-79
0.330
MAR-TRE-2fd8122f-8
0.327
MAR-TRE-4b834d9a-73
0.327
MAR-TRE-04c86cea-17
0.327
MAR-TRE-2fd8122f-13
0.327
MAR-TRE-2fd8122f-18
0.326
MAR-TRE-2fd8122f-19
0.324
MAR-TRE-2fd8122f-29
0.324
MAR-TRE-f6f5f473-23
0.324
MAR-TRE-04c86cea-46
0.320
MAR-TRE-3e4e6814-50
0.319
WIL-UNI-5578df48-17
0.316
MAK-UNK-c749d764-13
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MAR-TRE-9c797165-80
0.315
JOH-IMS-62aeb97d-1
0.315
MAR-TRE-b77b7921-72
0.314
KEI-TRE-d5e2018a-73
0.314
JAG-UCB-a3ef7265-7
0.312
MAR-TRE-2fd8122f-100
0.312
KEI-TRE-d5e2018a-38
0.311
MED-UNK-e6e8ef8a-7
0.311
MAR-TRE-04c86cea-35
0.311
DAR-DIA-842b4336-2
0.310
MAR-TRE-b77b7921-53
0.310
KEI-TRE-d5e2018a-77
0.310
MAR-TRE-74c6519b-19
0.310
SAD-SAT-689b7d5a-8
0.309
KEI-TRE-d5e2018a-64
0.308
MAR-TRE-d0525fbf-55
0.308
MAR-TRE-4b834d9a-26
0.308
ANT-OPE-6e66bf84-2
0.308
MAR-TRE-2fd8122f-6
0.308
MAR-TRE-04c86cea-49
0.308
MAR-TRE-3e4e6814-54
0.308
MED-UNK-e6e8ef8a-3
0.308
KEI-TRE-d5e2018a-67
0.308
MAR-TRE-3e4e6814-8
0.307
MAR-TRE-9c797165-95
0.306
SAD-SAT-135344c3-9
0.305
MAR-TRE-2fd8122f-59
0.305
MAR-TRE-d0525fbf-14
0.305
KEI-TRE-d5e2018a-79
0.305
WIL-UNI-5578df48-23
0.304
MAR-TRE-7f7bb9f0-15
0.302
MAR-TRE-f6f5f473-78
0.301
MED-UNK-e6e8ef8a-4
0.301
MAR-TRE-7f7bb9f0-6
0.301
MAR-TRE-2fd8122f-72
0.300
MAR-TRE-7f7bb9f0-33
0.300
JOH-IMS-62aeb97d-3
0.300
MAR-TRE-b77b7921-85
0.300
MAK-UNK-ca11b4f7-3
0.300
TRY-UNI-bbd40bb4-4
0.300
MAK-UNK-c749d764-17
0.300
SAD-SAT-689b7d5a-7
0.299
JOR-UNI-2fc98d0b-4
0.299
TRY-UNI-bbd40bb4-3
0.298
SAD-SAT-135344c3-5
0.298
MAR-TRE-799db12b-92
0.298
FRA-FAC-9ed5a63a-4
0.298
WIL-UNI-5578df48-22
0.298
MAR-TRE-2fd8122f-33
0.297
JOR-UNI-2fc98d0b-8
0.297
DAR-DIA-842b4336-11
0.297
MED-UNK-e6e8ef8a-1
0.297
JOH-IMS-62aeb97d-5
0.296