Molecular Properties | |
SMILES: | CCNc1ccc(F)c(Cc2cc(NCC(=O)Nc3ccc(F)nc3)ccc2Cl)n1 |
MW: | 431.874 |
Fraction sp3: | 0.19 |
HBA: | 5 |
HBD: | 3 |
Rotatable Bonds: | 8 |
TPSA: | 78.94 |
cLogP: | 4.4814 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter94_2_halo_pyridine
2-halopyridine
BEN-VAN-ed886787-15
0.756
BEN-VAN-ed886787-18
0.713
BEN-VAN-ed886787-17
0.667
BEN-VAN-ed886787-19
0.659
BEN-VAN-ed886787-6
0.652
BEN-VAN-ed886787-5
0.626
BEN-VAN-ed886787-7
0.626
BEN-VAN-ed886787-8
0.626
BEN-VAN-ed886787-13
0.530
BEN-VAN-ed886787-14
0.515
JOH-UNK-14e6adc5-5
0.490
BEN-VAN-ed886787-1
0.490
BEN-VAN-c4cc60be-1
0.475
BEN-VAN-ed886787-3
0.475
BEN-VAN-ed886787-2
0.456
BEN-VAN-ed886787-9
0.456
BEN-VAN-ed886787-20
0.455
BEN-VAN-ed886787-10
0.381
BEN-VAN-ed886787-4
0.371
BEN-VAN-ed886787-12
0.371
BEN-VAN-ed886787-11
0.348
EDG-MED-0da5ad92-13
0.281
WIL-UNI-1faa9b10-8
0.264
SER-UNI-985a0e14-1
0.261
JUL-TUD-06b2044f-105
0.252
GAB-FAC-880f6604-1
0.241
MAR-TRE-7f7bb9f0-20
0.238
MAR-TRE-04c86cea-84
0.238
MAK-UNK-af83ef51-27
0.237
JUL-TUD-06b2044f-137
0.236
SER-UNI-985a0e14-2
0.234
MAR-TRE-9c797165-70
0.232
MAR-TRE-3159af1a-64
0.232
JOH-UNK-14e6adc5-3
0.231
MAR-TRE-6c5ef77a-24
0.231
MAR-TRE-9c797165-33
0.229
MAK-UNK-51bb34f9-2
0.227
ALP-POS-3b848b35-3
0.226
MAR-TRE-3e4e6814-65
0.225
MAR-TRE-6a44bbf2-16
0.223
MAR-TRE-67513f76-44
0.223
MAR-TRE-3e4e6814-31
0.223
MAR-TRE-6c5ef77a-51
0.223
BEN-DND-1e24cf73-3
0.222
TAM-UNI-c140e31a-3
0.221
MAR-TRE-6a44bbf2-85
0.221
JOH-UNI-06346b80-1
0.221
MAR-TRE-74c6519b-82
0.220
MAR-TRE-7f7bb9f0-63
0.220
BEN-DND-a88ffd65-1
0.220
MAR-TRE-04c86cea-44
0.219
MAR-TRE-4b834d9a-78
0.219
MAR-TRE-3e4e6814-39
0.219
MAK-UNK-a7b37c5e-4
0.219
ALP-POS-6479a3a9-3
0.218
ALP-POS-d7944b10-1
0.218
MAR-TRE-2fd8122f-45
0.218
MAK-UNK-a7b37c5e-5
0.216
EDJ-MED-6e43a462-12
0.216
MAR-TRE-67513f76-93
0.216
EDG-MED-0da5ad92-12
0.216
MAR-TRE-c317dd82-63
0.216
MAR-TRE-7f7bb9f0-99
0.215
EDJ-MED-b24713dc-2
0.215
WIL-UNI-1faa9b10-31
0.214
ADA-UNI-f8e79267-10
0.214
MAR-TRE-c8530538-7
0.214
EDJ-MED-49816e9b-1
0.214
MAR-TRE-f5c2d31c-13
0.213
FRA-BIO-8bf1eac9-6
0.213
MAR-TRE-3e4e6814-66
0.212
MAR-TRE-7f7bb9f0-26
0.212
DAR-DIA-23aa0b97-16
0.212
MAK-UNK-a7b37c5e-1
0.212
MAR-TRE-4b834d9a-89
0.212
MAR-TRE-3e4e6814-87
0.212
MAR-TRE-f6f5f473-37
0.211
MAR-TRE-6c5ef77a-74
0.211
GAB-REV-70cc3ca5-12
0.211
BEN-VAN-5787f7d3-15
0.211
MAK-UNK-51bb34f9-3
0.210
MAK-UNK-af83ef51-13
0.210
EDG-MED-0da5ad92-2
0.210
MIC-UNK-66895286-1
0.210
MIC-UNK-66895286-4
0.210
MAK-UNK-d1e89583-8
0.210
MAR-TRE-67513f76-90
0.210
MAR-TRE-9c797165-3
0.209
MAR-TRE-f6f5f473-39
0.209
RAL-THA-2d450e86-24
0.209
PET-UNK-dd44aeb6-2
0.209
JOH-UNI-06d7cc04-1
0.209
EDJ-MED-e69ed63d-7
0.209
BEN-DND-a88ffd65-4
0.209
MAR-TRE-7f7bb9f0-40
0.208
GAB-REV-70cc3ca5-21
0.208
EDJ-MED-e69ed63d-1
0.207
MAR-TRE-b77b7921-75
0.207
MAR-TRE-f6f5f473-73
0.207
MAR-TRE-92684b97-46
0.207