Molecular Properties | |
SMILES: | CNCC1CC1(C(=O)Nc1cccnc1)c1cccc(Cl)c1 |
MW: | 315.804 |
Fraction sp3: | 0.29 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 54.02 |
cLogP: | 2.8508 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
ADA-UNI-f8e79267-9
0.800
ADA-UNI-f8e79267-6
0.676
ADA-UNI-f8e79267-3
0.538
EDG-MED-0da5ad92-2
0.446
BEN-DND-61647d40-19
0.436
DAR-DIA-23aa0b97-14
0.425
JAN-GHE-83b26c96-19
0.425
JOR-UNI-2fc98d0b-7
0.425
WAR-XCH-eb7b662f-7
0.425
CHR-SOS-7098f804-12
0.419
ADA-UNI-f8e79267-10
0.419
ADA-UNI-f8e79267-11
0.412
JOR-UNI-2fc98d0b-8
0.412
PET-SGC-1fc12be1-1
0.388
JOH-IMS-62aeb97d-5
0.382
JOR-UNI-2fc98d0b-12
0.380
KEI-TRE-d5e2018a-19
0.379
DAR-DIA-23aa0b97-16
0.377
JOR-UNI-2fc98d0b-5
0.376
JOR-UNI-2fc98d0b-11
0.376
MAR-TRE-2fd8122f-27
0.373
MAK-UNK-a7b37c5e-4
0.373
JOR-UNI-2fc98d0b-16
0.370
ADA-UNI-f8e79267-7
0.370
JOR-UNI-2fc98d0b-14
0.368
MAK-UNK-ca11b4f7-3
0.368
KEI-TRE-d5e2018a-16
0.367
MAK-UNK-d1e89583-9
0.366
SAD-SAT-135344c3-8
0.366
JOR-UNI-2fc98d0b-2
0.364
MAR-TRE-7f7bb9f0-74
0.362
MAK-UNK-ca11b4f7-1
0.362
JOR-UNI-2fc98d0b-3
0.362
JOR-UNI-2fc98d0b-17
0.362
JOR-UNI-2fc98d0b-15
0.361
WAR-XCH-eb7b662f-3
0.360
ERI-UCB-ce40166b-23
0.359
ADA-UNI-f8e79267-8
0.359
CHR-SOS-7098f804-14
0.357
DAR-DIA-23aa0b97-15
0.355
MED-UNK-e6e8ef8a-6
0.354
MAR-TRE-d0525fbf-84
0.354
JOR-UNI-2fc98d0b-13
0.354
MAR-TRE-2fd8122f-57
0.354
MAR-TRE-67513f76-81
0.353
MAR-TRE-04c86cea-65
0.351
CHR-SOS-7098f804-11
0.350
WAR-XCH-eb7b662f-5
0.350
MAR-TRE-7f7bb9f0-46
0.349
LON-WEI-120e5cf5-11
0.349
JAN-GHE-83b26c96-20
0.349
EDG-MED-0da5ad92-11
0.349
MAK-UNK-ca11b4f7-2
0.348
JOR-UNI-2fc98d0b-4
0.347
JOR-UNI-2fc98d0b-1
0.347
MAK-UNK-d1e89583-7
0.346
CHR-SOS-f7373dd1-5
0.346
BEN-DND-61647d40-20
0.346
MAR-TRE-04c86cea-86
0.345
JOH-IMS-62aeb97d-1
0.342
MAK-UNK-a7b37c5e-1
0.342
SAD-SAT-689b7d5a-9
0.341
MAK-UNK-d1e89583-6
0.341
JOR-UNI-2fc98d0b-6
0.340
JOR-UNI-2fc98d0b-10
0.340
MAK-UNK-d1e89583-1
0.338
DAR-DIA-842b4336-2
0.338
MED-UNK-e6e8ef8a-1
0.338
DAR-DIA-842b4336-11
0.338
WAR-XCH-eb7b662f-4
0.338
CHR-SOS-f7373dd1-2
0.337
WAR-XCH-eb7b662f-2
0.337
MAR-TRE-67513f76-32
0.337
KEI-TRE-d5e2018a-99
0.337
MAR-TRE-b77b7921-85
0.337
BAR-COM-0f94fc3d-25
0.337
PET-UNK-ac320b15-3
0.337
PET-UNK-ac320b15-4
0.337
ALE-HEI-f28a35b5-14
0.333
CHR-SOS-f7373dd1-4
0.333
MED-UNK-e6e8ef8a-3
0.333
WIL-UNI-1faa9b10-8
0.333
WAR-XCH-eb7b662f-1
0.333
ANN-UNI-26382800-4
0.333
JOR-UNI-61e7b1d5-2
0.333
DAR-DIA-23aa0b97-5
0.333
WAR-XCH-eb7b662f-6
0.333
CHR-SOS-7098f804-15
0.333
NIM-UNI-b87c0f72-1
0.330
NIM-UNI-b87c0f72-2
0.330
MAR-TRE-3e4e6814-79
0.330
WAR-XCH-6eb0722e-4
0.330
MAR-TRE-04c86cea-78
0.330
AGN-NEW-891393a6-1
0.329
MAK-UNK-d1e89583-8
0.329
MAK-UNK-c749d764-27
0.329
MAK-UNK-d1e89583-4
0.329
ISA-SCH-8e98219b-4
0.329
MAR-TRE-2fd8122f-51
0.326
MAR-TRE-3e4e6814-65
0.326