Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1ncc(Cl)nc12 |
MW: | 275.695 |
Fraction sp3: | 0.15 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 2 |
TPSA: | 78.87 |
cLogP: | 2.9526 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
α-Halogen substituted N-heterocycles
2-halopyridine
halo-pyridine,_-diazoles_and_-triazoles
AAR-POS-d2a4d1df-30
MAK-UNK-0d6072ac-30
0.603
MAK-UNK-0d6072ac-28
0.542
MAK-UNK-0d6072ac-9
0.535
MAK-UNK-0d6072ac-8
0.514
MAK-UNK-0d6072ac-7
0.493
MAK-UNK-0d6072ac-27
0.479
MAK-UNK-0d6072ac-17
0.434
MAK-UNK-0d6072ac-3
0.432
GER-UNI-ec786817-1
0.432
AAR-POS-fca48359-20
0.432
MAK-UNK-0d6072ac-4
0.432
AAR-POS-fca48359-19
0.432
MAK-UNK-0d6072ac-16
0.427
MAK-UNK-0d6072ac-18
0.408
MAK-UNK-0d6072ac-1
0.395
MAK-UNK-0d6072ac-35
0.380
MAK-UNK-0d6072ac-38
0.380
MAK-UNK-0d6072ac-31
0.349
MAK-UNK-0d6072ac-37
0.346
MAK-UNK-0d6072ac-12
0.341
MAK-UNK-0d6072ac-36
0.341
MAK-UNK-0d6072ac-14
0.325
MAK-UNK-0d6072ac-10
0.313
MAK-UNK-0d6072ac-24
0.313
MAK-UNK-0d6072ac-25
0.313
MAK-UNK-0d6072ac-34
0.313
MAK-UNK-0d6072ac-19
0.312
AAR-POS-fca48359-18
0.312
MAK-UNK-0d6072ac-5
0.309
MAK-UNK-0d6072ac-32
0.306
ALP-POS-4f3627cc-1
0.298
MAK-UNK-0d6072ac-21
0.298
MAK-UNK-10dfa458-33
0.291
MAK-UNK-0d6072ac-11
0.286
MAK-UNK-10dfa458-34
0.282
MAK-UNK-10dfa458-37
0.276
MAR-TRE-87acfbcc-79
0.274
MAK-UNK-0d6072ac-20
0.274
MAK-UNK-0d6072ac-33
0.267
MAK-UNK-0d6072ac-26
0.265
EVA-UNK-a6bd3264-1
0.263
MAK-UNK-10dfa458-28
0.259
MAK-UNK-0d6072ac-2
0.253
MAT-POS-fce787c2-3
0.253
MAR-TRE-87acfbcc-25
0.244
MAK-UNK-0d6072ac-22
0.244
MAR-TRE-87acfbcc-35
0.235
RED-RED-10c9212c-14
0.235
MAR-TRE-87acfbcc-36
0.234
MAK-UNK-230cdef2-5
0.233
MAR-TRE-92684b97-80
0.233
MAR-TRE-87acfbcc-38
0.231
MAR-TRE-8190bb11-72
0.230
MAR-TRE-87acfbcc-91
0.228
MAT-POS-281d2ee9-1
0.228
MAK-UNK-230cdef2-3
0.227
MAR-TRE-87acfbcc-20
0.225
MAR-TRE-87acfbcc-7
0.225
MAR-TRE-87acfbcc-15
0.225
MAR-TRE-87acfbcc-22
0.224
MAR-TRE-87acfbcc-47
0.222
MAK-UNK-f203cb68-16
0.221
MAR-TRE-8190bb11-59
0.221
MAR-TRE-799db12b-100
0.220
MAR-TRE-87acfbcc-41
0.218
JAN-GHE-83b26c96-6
0.217
TRY-UNI-714a760b-15
0.217
MAR-TRE-87acfbcc-21
0.217
MAR-TRE-87acfbcc-50
0.217
MAT-POS-1f3f1a6f-2
0.216
MAR-TRE-8190bb11-54
0.216
MAR-TRE-799db12b-96
0.216
MAR-TRE-799db12b-61
0.216
JAN-GHE-83b26c96-2
0.215
MAR-TRE-799db12b-95
0.214
MAK-UNK-f203cb68-2
0.214
MAR-TRE-9d18ae8c-26
0.214
BAR-COM-4e090d3a-22
0.214
MAR-TRE-87acfbcc-16
0.214
TRY-UNI-2eddb1ff-3
0.213
MAK-UNK-f203cb68-11
0.213
MAR-TRE-87acfbcc-29
0.213
MAR-TRE-a9136c7b-59
0.213
MAT-POS-1f3f1a6f-1
0.213
SAM-UNK-2684b532-5
0.213
JAN-GHE-83b26c96-3
0.212
LON-WEI-1908424e-9
0.212
JAG-UCB-cedd89ab-5
0.212
MAR-TRE-87acfbcc-58
0.212
MAR-TRE-9d18ae8c-59
0.212
JOH-UNI-ee5ed7c8-10
0.212
JOH-UNI-3fc3434e-10
0.212
MAK-UNK-f203cb68-21
0.212
SAM-UNK-2684b532-7
0.211
MAR-TRE-9d18ae8c-25
0.211
MAT-POS-ea426761-14
0.211
VLA-UNK-9a7dc93f-6
0.210
BEN-DND-03406596-4
0.210
BEN-DND-03406596-11
0.210
BEN-DND-93268d01-1
0.210