Molecular Properties | |
SMILES: | CC(C)(C)C(CN1CCc2ccccc2C1)NC(=O)Nc1cccnc1 |
MW: | 352.23 |
Fraction sp3: | 0.43 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 57.26 |
cLogP: | 3.68 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine REAL: | Z744005262 |
ALE-HEI-f28a35b5-9
TAM-UNI-c140e31a-7
0.392
SAD-SAT-689b7d5a-6
0.374
DAR-DIA-842b4336-2
0.370
SAD-SAT-689b7d5a-10
0.367
TAM-UNI-c140e31a-1
0.366
DAR-DIA-842b4336-4
0.366
BAR-COM-5694a99d-4
0.366
AAR-POS-d2a4d1df-11
0.364
BAR-COM-5694a99d-3
0.362
JOH-IMS-62aeb97d-5
0.360
BAR-COM-5694a99d-1
0.358
TAM-UNI-c140e31a-13
0.357
SAD-SAT-689b7d5a-5
0.355
DOU-UNK-b5326f8f-19
0.354
WIL-UNI-5578df48-21
0.353
WAR-XCH-eb7b662f-6
0.349
ALE-HEI-f28a35b5-16
0.349
MAR-TRE-67513f76-73
0.348
MAR-TRE-2fd8122f-54
0.347
ALE-MCD-4ac17b19-1
0.347
DAR-DIA-842b4336-1
0.346
MAK-UNK-d1e89583-4
0.345
SAD-SAT-689b7d5a-4
0.344
BAR-COM-5694a99d-5
0.344
SAD-SAT-135344c3-7
0.343
RED-RED-10c9212c-5
0.343
MAR-TRE-67513f76-93
0.341
SAD-SAT-cefd50cc-1
0.341
WIL-UNI-5578df48-19
0.341
MAR-TRE-9c797165-52
0.341
DAR-DIA-23aa0b97-15
0.337
DAR-DIA-842b4336-11
0.337
SAD-SAT-689b7d5a-3
0.337
WIL-UNI-5578df48-22
0.337
MAK-UNK-009ebe36-2
0.337
SAD-SAT-135344c3-3
0.337
MAK-UNK-009ebe36-8
0.337
BAR-COM-5694a99d-2
0.333
LON-WEI-5e7d1b3e-22
0.333
DAR-DIA-842b4336-3
0.333
ALE-HEI-f28a35b5-15
0.333
SAD-SAT-689b7d5a-8
0.333
LON-WEI-4d77710c-22
0.333
MAK-UNK-d1e89583-8
0.330
JIA-UNI-12b1f9ae-1
0.330
DAR-DIA-842b4336-9
0.330
MAK-UNK-d1e89583-7
0.329
SAD-SAT-135344c3-1
0.327
SAD-SAT-135344c3-9
0.327
SAD-SAT-689b7d5a-9
0.326
ALE-HEI-f28a35b5-4
0.326
WAR-XCH-eb7b662f-3
0.325
WIL-UNI-5578df48-31
0.324
TRY-UNI-bbd40bb4-4
0.323
JOR-UNI-61e7b1d5-1
0.323
MAK-UNK-129dcd6f-5
0.323
WIL-UNI-5578df48-18
0.323
IAN-BAS-df1706d7-1
0.323
FRA-FAC-9ed5a63a-4
0.322
DAR-DIA-842b4336-7
0.322
MAK-UNK-d1e89583-1
0.321
MAR-TRE-2fd8122f-27
0.321
SAD-SAT-689b7d5a-1
0.320
THO-SYG-f9b2970d-1
0.320
RED-RED-10c9212c-45
0.320
SAD-SAT-135344c3-6
0.320
BAR-COM-21d20d65-8
0.320
WIL-UNI-5578df48-24
0.320
MAR-TRE-4b834d9a-49
0.320
MAR-TRE-74c6519b-42
0.320
WIL-UNI-5578df48-28
0.319
WIL-UNI-5578df48-15
0.319
MAR-TRE-3e4e6814-93
0.319
WAR-XCH-eb7b662f-5
0.318
MAR-TRE-2fd8122f-3
0.318
JOH-UNK-14e6adc5-2
0.318
WAR-XCH-eb7b662f-7
0.318
JAN-GHE-83b26c96-19
0.318
JOR-UNI-2fc98d0b-7
0.318
DAR-DIA-23aa0b97-14
0.318
ANN-UNI-26382800-3
0.318
JOH-IMS-62aeb97d-4
0.318
SAD-SAT-135344c3-2
0.316
MAR-TRE-67513f76-81
0.316
WIL-UNI-5578df48-26
0.316
THO-SYG-f9b2970d-5
0.315
ALE-HEI-f28a35b5-8
0.314
WIL-UNI-5578df48-30
0.314
BAR-COM-21d20d65-6
0.313
MAK-UNK-129dcd6f-4
0.313
MAR-TRE-3e4e6814-47
0.313
HUB-UNK-9845d277-3
0.312
MAK-UNK-ca11b4f7-3
0.312
MAR-TRE-2fd8122f-79
0.311
SAD-SAT-135344c3-8
0.311
MAR-TRE-2fd8122f-67
0.310
MAK-UNK-d1e89583-2
0.310
BAR-COM-21d20d65-2
0.310
MAR-TRE-2fd8122f-22
0.310
CAS-DEP-e179b1f5-1
0.310