Molecular Properties | |
SMILES: | O=C(CN1C(=O)COc2ccc(Cl)cc21)Nc1cccnc1 |
MW: | 317.06 |
Fraction sp3: | 0.13 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 3 |
TPSA: | 71.53 |
cLogP: | 2.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Enamine SCR: | Z238481264 |
Enamine REAL: | Z238481264 |
Enamine Extended REAL: | s_22____57778____242262 |
Mcule: | MCULE-4972736353 |
MolPort: | MolPort-003-828-024 |
ALE-HEI-f28a35b5-9
MAR-TRE-7f7bb9f0-84
1.000
MAR-TRE-2fd8122f-9
1.000
MAR-TRE-2fd8122f-91
0.654
KEI-TRE-d5e2018a-37
0.654
MAR-TRE-4b834d9a-45
0.654
BAR-COM-0f94fc3d-48
0.631
MAR-TRE-2fd8122f-54
0.477
MAR-TRE-2fd8122f-43
0.449
MAR-TRE-2fd8122f-49
0.418
MAR-TRE-3e4e6814-65
0.418
MAR-TRE-b77b7921-91
0.414
MAR-TRE-3e4e6814-80
0.412
MAK-UNK-a7b37c5e-4
0.410
EDG-MED-0da5ad92-2
0.407
MAR-TRE-b77b7921-52
0.402
MAR-TRE-f6f5f473-46
0.402
MAR-TRE-67513f76-81
0.394
MAR-TRE-2fd8122f-63
0.392
MAK-UNK-ca11b4f7-1
0.384
TAM-UNI-c140e31a-7
0.381
MAR-TRE-7f7bb9f0-74
0.381
DAR-DIA-23aa0b97-16
0.378
MAR-TRE-3e4e6814-27
0.378
MAR-TRE-4b834d9a-79
0.376
MAR-TRE-7f7bb9f0-28
0.373
ALE-HEI-f28a35b5-14
0.372
MAR-TRE-3e4e6814-66
0.368
MAR-TRE-67513f76-73
0.368
MAR-TRE-4b834d9a-31
0.367
MAR-TRE-4b834d9a-49
0.366
JOH-IMS-62aeb97d-5
0.365
KEI-TRE-d5e2018a-85
0.363
TAM-UNI-c140e31a-13
0.361
MAR-TRE-7f7bb9f0-72
0.361
KEI-TRE-d5e2018a-26
0.361
MAR-TRE-7f7bb9f0-50
0.360
KEI-TRE-d5e2018a-45
0.359
DAR-DIA-842b4336-13
0.357
MAR-TRE-2fd8122f-78
0.356
KEI-TRE-d5e2018a-39
0.356
NAU-LAT-64f4b287-10
0.356
TAM-UNI-c140e31a-12
0.354
WIL-UNI-1faa9b10-8
0.351
THO-SYG-f9b2970d-1
0.351
JOR-UNI-2fc98d0b-1
0.350
TAM-UNI-c140e31a-14
0.350
KEI-TRE-d5e2018a-67
0.347
MAK-UNK-a7b37c5e-1
0.345
TAM-UNI-c140e31a-1
0.343
MAR-TRE-d0525fbf-84
0.343
DAR-DIA-23aa0b97-15
0.341
DAR-DIA-842b4336-11
0.341
DAR-DIA-842b4336-12
0.341
MED-UNK-e6e8ef8a-6
0.341
CHR-SOS-70e4c98a-6
0.341
MAR-TRE-9c797165-60
0.340
MAR-TRE-2fd8122f-72
0.340
MAR-TRE-d0525fbf-64
0.340
KEI-TRE-d5e2018a-74
0.340
MAR-TRE-2fd8122f-68
0.340
KEI-TRE-d5e2018a-54
0.340
MAK-UNK-a7b37c5e-5
0.337
JAN-GHE-83b26c96-19
0.337
JOR-UNI-2fc98d0b-7
0.337
DAR-DIA-23aa0b97-14
0.337
WAR-XCH-eb7b662f-7
0.337
CHR-SOS-7098f804-11
0.337
JOR-UNI-2fc98d0b-2
0.337
JOR-UNI-2fc98d0b-8
0.337
MAR-TRE-c317dd82-59
0.337
MAR-TRE-9c797165-21
0.337
MAR-TRE-67513f76-55
0.337
TAM-UNI-c140e31a-6
0.337
MAR-TRE-2fd8122f-35
0.337
CHR-SOS-7098f804-12
0.333
SAN-PRS-52b81272-2
0.333
MAR-TRE-9c797165-22
0.333
MAR-TRE-4b834d9a-96
0.333
CHR-SOS-70e4c98a-8
0.333
KEI-TRE-d5e2018a-65
0.333
KEI-TRE-d5e2018a-33
0.333
KEI-TRE-d5e2018a-41
0.331
KEI-TRE-d5e2018a-31
0.330
ANU-FNM-72f8c13c-1
0.330
JOR-UNI-2fc98d0b-6
0.330
JOR-UNI-2fc98d0b-16
0.330
MAR-TRE-2fd8122f-39
0.330
THO-SYG-f9b2970d-2
0.330
CHR-SOS-7098f804-14
0.330
MAR-TRE-9c797165-52
0.330
DAR-DIA-842b4336-14
0.330
MAR-TRE-7f7bb9f0-56
0.330
FRA-FAC-9ed5a63a-1
0.329
AAR-POS-d2a4d1df-13
0.329
ALE-HEI-f28a35b5-9
0.329
WAR-XCH-eb7b662f-3
0.329
SAD-SAT-24589cd1-4
0.329
KEI-TRE-d5e2018a-21
0.327
BEN-VAN-c4cc60be-1
0.327
BEN-VAN-ed886787-3
0.327