Molecular Properties | |
SMILES: | O=C(CN1C(=O)NC2(CCOCC2)C1=O)Nc1cccnc1Cl |
MW: | 338.08 |
Fraction sp3: | 0.43 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 3 |
TPSA: | 100.63 |
cLogP: | 0.77 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
MolPort: | MolPort-044-346-147 |
2-halo pyridine
hydantoin
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-chloropyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
MAR-TRE-f6f5f473-30
0.701
MAR-TRE-d0525fbf-83
0.506
AAR-POS-0daf6b7e-20
0.429
MAR-TRE-b77b7921-91
0.429
MAK-UNK-a7b37c5e-3
0.403
MAR-TRE-74c6519b-53
0.395
MAR-TRE-67513f76-54
0.391
MAR-TRE-b77b7921-63
0.386
MAR-TRE-7f7bb9f0-61
0.382
MAR-TRE-3e4e6814-41
0.380
SID-ELM-8b394441-4
0.378
MAR-TRE-9c797165-96
0.376
MAR-TRE-4b834d9a-1
0.373
MAR-TRE-7f7bb9f0-48
0.366
MAR-TRE-7f7bb9f0-23
0.360
MAR-TRE-04c86cea-44
0.358
MAR-TRE-9c797165-27
0.357
AGN-NEW-cce853d0-1
0.355
AGN-NEW-cce853d0-3
0.355
MAR-TRE-7f7bb9f0-42
0.354
MAR-TRE-4b834d9a-29
0.352
MAR-TRE-9c797165-49
0.350
MAR-TRE-d0525fbf-93
0.347
MAR-TRE-3e4e6814-95
0.343
MAR-TRE-67513f76-71
0.343
MAR-TRE-74c6519b-44
0.337
MAR-TRE-9c797165-42
0.337
MAR-TRE-9c797165-76
0.336
SID-ELM-8b394441-3
0.321
MAR-TRE-3e4e6814-63
0.316
BAR-COM-0f94fc3d-31
0.310
MAR-TRE-2fd8122f-63
0.307
MAR-TRE-3e4e6814-55
0.301
MAR-TRE-04c86cea-62
0.284
MAR-TRE-8190bb11-2
0.282
MAR-TRE-f6f5f473-50
0.275
MAR-TRE-3159af1a-76
0.273
MAR-TRE-4b834d9a-95
0.267
MAR-TRE-4b834d9a-55
0.267
BAR-COM-0f94fc3d-27
0.265
SIM-DEM-2843056b-1
0.264
BEN-VAN-77cef4f8-2
0.263
NAU-LAT-e1818702-5
0.257
MAR-TRE-4b834d9a-76
0.257
MAR-TRE-04c86cea-69
0.255
BEN-VAN-77cef4f8-1
0.254
BEN-VAN-77cef4f8-5
0.254
BEN-VAN-77cef4f8-3
0.252
MAR-TRE-4b834d9a-83
0.250
MAR-TRE-7f7bb9f0-95
0.250
MAR-TRE-3e4e6814-81
0.250
MAR-TRE-04c86cea-88
0.250
MAR-TRE-3e4e6814-33
0.250
MAR-TRE-f6f5f473-61
0.248
MAR-TRE-b77b7921-52
0.248
AGN-NEW-cce853d0-2
0.248
RAF-POL-b61b4b25-5
0.247
BEN-VAN-77cef4f8-4
0.246
BEN-VAN-77cef4f8-6
0.246
MAR-TRE-4b834d9a-47
0.245
MAR-TRE-3e4e6814-53
0.245
AGN-NEW-c7b24fe3-4
0.245
AGN-NEW-c7b24fe3-5
0.245
MAR-TRE-3e4e6814-90
0.243
MAR-TRE-7f7bb9f0-96
0.243
AGN-NEW-c7b24fe3-1
0.242
MAR-TRE-f5c2d31c-67
0.242
BEN-DND-93268d01-10
0.242
MAR-TRE-04c86cea-55
0.241
MAR-TRE-f6f5f473-27
0.241
MAR-TRE-7f7bb9f0-93
0.241
SAD-SAT-b55127ae-8
0.240
EDG-MED-0da5ad92-14
0.239
MAR-TRE-f6f5f473-26
0.239
MAR-TRE-d0525fbf-12
0.239
MAR-TRE-04c86cea-68
0.238
MAR-TRE-67513f76-30
0.238
MAR-TRE-04c86cea-78
0.238
MAR-TRE-0fda4e82-89
0.238
MAR-TRE-d0525fbf-11
0.237
MAR-TRE-04c86cea-74
0.237
MAR-TRE-7f7bb9f0-88
0.236
MAR-TRE-4b834d9a-61
0.236
MAR-TRE-04c86cea-36
0.236
MAK-UNK-a7b37c5e-1
0.236
AHN-SAT-d468bb5b-1
0.235
MAR-TRE-7f7bb9f0-17
0.235
MAR-TRE-7f7bb9f0-85
0.235
MAR-TRE-67513f76-37
0.235
MAR-TRE-f6f5f473-46
0.235
SIM-DEM-1d7050d3-1
0.235
MAR-TRE-4b834d9a-5
0.234
RAF-POL-950dada1-18
0.234
MAR-TRE-f6f5f473-35
0.234
MAR-TRE-4b834d9a-7
0.233
JUL-TUD-06b2044f-68
0.232
MAK-UNK-a7992eb3-9
0.232
MAR-TRE-b77b7921-90
0.232
MAR-TRE-f6f5f473-16
0.232
EDJ-MED-6d9ff7d0-5
0.232