Molecule Details
| Molecular Properties | |
| SMILES: | Clc1nc2ccc(Br)cc2cc1-c1nc2cc(Br)ccc2o1 |
| MW: | 438.506 |
| Fraction sp3: | 0.0 |
| HBA: | 3 |
| HBD: | 0 |
| Rotatable Bonds: | 1 |
| TPSA: | 38.92 |
| cLogP: | 6.2214 |
| Covalent Warhead: | ✗ |
| Covalent Fragment: | ✔️ |
2-halo pyridine
α-Halogen substituted N-heterocycles
Filter9_metal
Filter94_2_halo_pyridine
2-chloropyridine
aryl bromide
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
AAR-POS-d2a4d1df-30
DRV-DNY-5c7d8ee8-6
0.767
DRV-DNY-5c7d8ee8-5
0.742
DRV-DNY-5c7d8ee8-8
0.687
DRV-DNY-5c7d8ee8-4
0.667
DRV-DNY-5c7d8ee8-11
0.520
DRV-DNY-5c7d8ee8-10
0.500
DRV-DNY-5c7d8ee8-9
0.494
DRV-DNY-5c7d8ee8-12
0.487
DRV-DNY-5c7d8ee8-3
0.414
DRV-DNY-5c7d8ee8-2
0.368
DRA-CSI-0a78d9ba-2
0.188
LYN-UNI-7bb260d6-7
0.185
DRA-CSI-0a78d9ba-9
0.179
JOH-UNI-f0df842c-4
0.178
LYN-UNI-c2dd631d-11
0.177
LYN-UNI-c2dd631d-14
0.176
LYN-UNI-b265e4fd-9
0.174
LYN-UNI-0d9431a4-1
0.169
GAB-REV-70cc3ca5-22
0.168
DRA-CSI-0a78d9ba-10
0.167
MAR-TRE-a3327163-87
0.165
MAR-TRE-14ce9fd6-38
0.165
LYN-UNI-aac70ff6-1
0.165
JOH-UNI-9dc98897-9
0.165
MAR-TRE-14ce9fd6-24
0.163
MAR-TRE-8a25d817-98
0.163
DRA-CSI-0a78d9ba-11
0.161
DRA-CSI-0a78d9ba-5
0.161
DRA-CSI-0a78d9ba-6
0.161
BRU-THA-a358fbdd-3
0.160
JAG-UCB-c61058a9-17
0.160
MAT-POS-e10a589d-1
0.158
MAR-TRE-e82e6c98-38
0.158
DRA-CSI-3ab97369-2
0.157
MAR-UCB-195bc32d-56
0.157
DRA-CSI-0a78d9ba-7
0.156
MAR-TRE-b77b7921-39
0.155
DRA-CSI-0a78d9ba-8
0.154
MAR-TRE-3e4e6814-95
0.154
DRA-CSI-7ec17797-15
0.153
DRA-CSI-3ab97369-4
0.153
JAG-UCB-c61058a9-19
0.153
MAR-TRE-f6f5f473-95
0.153
MAR-TRE-a9136c7b-16
0.152
DRA-CSI-7ec17797-16
0.152
DRA-CSI-7ec17797-14
0.151
LON-WEI-ff7b210a-11
0.151
MAT-POS-11b63608-1
0.151
MAR-TRE-a3327163-58
0.151
DRA-CSI-7ec17797-17
0.150
DRA-CSI-3ab97369-10
0.150
DRA-CSI-7ec17797-1
0.149
MAR-TRE-a3327163-84
0.149
DRA-CSI-3ab97369-7
0.149
DAR-DIA-8b715a25-13
0.149
MAR-TRE-a3327163-98
0.149
DRA-CSI-3ab97369-8
0.148
DRA-CSI-0a78d9ba-1
0.148
DRA-CSI-3ab97369-6
0.148
MAR-TRE-a3327163-89
0.147
DRA-CSI-3ab97369-11
0.147
MAR-TRE-a3327163-83
0.146
LYN-UNI-7bb260d6-10
0.146
DRA-CSI-3ab97369-9
0.145
NIM-UNI-534877e5-2
0.145
DRA-CSI-0a78d9ba-12
0.145
AAR-POS-0daf6b7e-20
0.145
LOR-NOR-30067bb9-18
0.144
MAR-TRE-f5c2d31c-81
0.144
UNK-UNK-2ede4078-82
0.144
DRA-CSI-3ab97369-5
0.144
DRA-CSI-0a78d9ba-4
0.143
DAR-DIA-8b715a25-9
0.143
DRA-CSI-7ec17797-2
0.143
MAR-TRE-04c86cea-13
0.143
DRA-CSI-0a78d9ba-3
0.143
MAR-TRE-a78003aa-79
0.143
MAR-TRE-aca67d11-12
0.143
MAR-TRE-36bf7dba-46
0.143
LOR-NOR-c954e7ad-1
0.143
DRA-CSI-7ec17797-13
0.142
DRA-CSI-7ec17797-12
0.142
KRI-MAR-d2e3ef86-28
0.142
DAR-DIA-8b715a25-3
0.141
MAR-TRE-14ce9fd6-31
0.141
MAR-TRE-8a25d817-79
0.141
DRA-CSI-3ab97369-12
0.140
MAR-TRE-be9ff7d2-78
0.140
MAR-TRE-1c920f6f-84
0.140
MAR-TRE-a78003aa-85
0.139
MAR-TRE-f5c2d31c-42
0.139
KRI-MAR-d2e3ef86-8
0.139
MAR-TRE-a3327163-13
0.138
IND-SYN-6c8299e8-1
0.138
MAR-TRE-8190bb11-20
0.138
DAR-DIA-53551c05-1
0.138
NAU-LAT-1b663c1e-4
0.138
DAR-DIA-5d6f1b43-13
0.138
MAR-TRE-aca67d11-86
0.138
MAR-TRE-aca67d11-67
0.138