Molecular Properties | |
SMILES: | COc1ccc(-c2nc3c(Cl)nc(NC(=O)C4CCN(Cc5ccc(Br)cc5)CC4)nc3n2C)cc1 |
MW: | 569.891 |
Fraction sp3: | 0.31 |
HBA: | 7 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 85.17 |
cLogP: | 5.3055 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
α-Halogen substituted N-heterocycles
Filter9_metal
aryl bromide
4-halopyridine
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
DRA-CSI-0a78d9ba-15
0.798
DRA-CSI-0a78d9ba-14
0.535
DRA-CSI-0a78d9ba-2
0.473
DRA-CSI-0a78d9ba-6
0.374
DRA-CSI-0a78d9ba-1
0.367
DRA-CSI-0a78d9ba-3
0.366
DRA-CSI-0a78d9ba-4
0.366
DRA-CSI-0a78d9ba-9
0.349
DRA-CSI-0a78d9ba-5
0.341
DRA-CSI-0a78d9ba-7
0.341
DRA-CSI-0a78d9ba-8
0.338
DRA-CSI-7ec17797-5
0.336
DRA-CSI-0a78d9ba-13
0.311
DRA-CSI-0a78d9ba-10
0.303
MAR-TRE-fd17a9b8-36
0.294
DRA-CSI-0a78d9ba-11
0.294
SAD-SAT-7d5528d9-7
0.293
MAK-UNK-acefcb18-20
0.282
DRA-CSI-7ec17797-12
0.280
DRA-CSI-0a78d9ba-12
0.279
DRA-CSI-3ab97369-2
0.276
DRA-CSI-7ec17797-1
0.273
DRA-CSI-7ec17797-19
0.269
DRA-CSI-7ec17797-17
0.269
DRA-CSI-3ab97369-6
0.265
DRA-CSI-7ec17797-2
0.263
DRA-CSI-7ec17797-13
0.261
DRA-CSI-7ec17797-14
0.261
MED-COV-4280ac29-17
0.260
MAR-TRE-b77b7921-57
0.260
DRA-CSI-3ab97369-1
0.260
MAK-UNK-c97f7c8f-2
0.259
DRA-CSI-7ec17797-15
0.259
DRA-CSI-3ab97369-4
0.259
GIA-UNK-5ec6c2b8-3
0.258
DRA-CSI-7ec17797-16
0.257
JAG-SYN-9c2cd0bd-9
0.255
MAK-UNK-acefcb18-27
0.255
AAR-POS-5507155c-2
0.252
LON-WEI-120e5cf5-1
0.252
AAR-POS-f650c5f2-4
0.252
LON-WEI-120e5cf5-17
0.252
DRA-CSI-3ab97369-3
0.252
DRA-CSI-7ec17797-3
0.250
MAK-UNK-acefcb18-29
0.248
DRA-CSI-3ab97369-7
0.248
DRA-CSI-7ec17797-10
0.248
MAR-TRE-a9136c7b-89
0.248
LON-WEI-120e5cf5-3
0.248
MAR-TRE-2fd8122f-64
0.242
DRA-CSI-3ab97369-5
0.241
GIA-UNK-595fac82-5
0.240
DRA-CSI-7ec17797-9
0.240
BEN-DND-031a96cc-5
0.239
MAK-UNK-a7992eb3-1
0.238
LON-WEI-120e5cf5-20
0.238
AAR-POS-0daf6b7e-18
0.238
MAR-TRE-7f7bb9f0-26
0.237
JOH-UNK-14e6adc5-7
0.236
ANT-STE-dbb91f63-1
0.235
MAR-TRE-fd17a9b8-44
0.234
MAT-POS-b5746674-72
0.233
MAK-UNK-e4a48a85-18
0.232
COM-UCB-1ef4e90e-10
0.232
COM-UCB-8c7d23dc-7
0.232
NIM-UNI-13494739-11
0.231
WIL-LEE-23e8b574-2
0.231
JAG-SYN-9c2cd0bd-14
0.231
MAK-UNK-c97f7c8f-1
0.229
LON-WEI-120e5cf5-16
0.229
LON-WEI-120e5cf5-15
0.229
MAR-TRE-6a44bbf2-86
0.229
LON-WEI-120e5cf5-7
0.228
BEN-DND-031a96cc-4
0.227
DRA-CSI-7ec17797-4
0.227
MAR-TRE-d0525fbf-20
0.226
MAK-UNK-212f693e-15
0.225
RED-RED-10c9212c-1
0.225
AAR-POS-fca48359-4
0.225
MAR-TRE-66ac689e-89
0.224
LON-WEI-120e5cf5-13
0.223
AHN-SAT-02ef6d10-2
0.222
LON-WEI-120e5cf5-10
0.222
MAK-UNK-af83ef51-16
0.221
MAR-TRE-d0525fbf-25
0.221
MAR-TRE-04c86cea-67
0.221
SAD-SAT-7d5528d9-6
0.221
BEN-DND-031a96cc-1
0.221
LON-WEI-120e5cf5-19
0.221
LON-WEI-120e5cf5-21
0.221
UNK-UNK-2ede4078-98
0.221
LON-WEI-120e5cf5-14
0.220
GIA-UNK-4de5abb1-5
0.219
WIL-LEE-23e8b574-4
0.219
DRA-CSI-47e38074-8
0.217
DRA-CSI-47e38074-6
0.217
MAR-TRE-04c86cea-56
0.217
MAK-UNK-acefcb18-22
0.217
LON-WEI-120e5cf5-11
0.216
MAR-TRE-f6f5f473-48
0.216