Molecular Properties | |
SMILES: | C[C@H](C(=O)O)c1ccc2c(c1)[nH]c1cnc(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-9
0.588
MAK-UNK-0d6072ac-30
0.565
MAK-UNK-0d6072ac-29
0.542
MAK-UNK-0d6072ac-7
0.500
MAK-UNK-0d6072ac-8
0.479
GER-UNI-ec786817-1
0.438
AAR-POS-fca48359-19
0.438
MAK-UNK-0d6072ac-3
0.438
AAR-POS-fca48359-20
0.438
MAK-UNK-0d6072ac-4
0.438
MAK-UNK-0d6072ac-18
0.432
MAK-UNK-0d6072ac-16
0.432
MAK-UNK-0d6072ac-27
0.427
MAK-UNK-0d6072ac-17
0.421
MAK-UNK-0d6072ac-1
0.419
MAK-UNK-0d6072ac-12
0.397
MAK-UNK-0d6072ac-35
0.385
MAK-UNK-0d6072ac-38
0.385
MAK-UNK-0d6072ac-36
0.329
MAK-UNK-0d6072ac-14
0.329
MAK-UNK-0d6072ac-24
0.317
MAK-UNK-0d6072ac-25
0.317
MAK-UNK-0d6072ac-21
0.317
ALP-POS-4f3627cc-1
0.317
MAK-UNK-0d6072ac-19
0.316
AAR-POS-fca48359-18
0.316
MAK-UNK-0d6072ac-5
0.312
MAK-UNK-0d6072ac-31
0.306
MAK-UNK-0d6072ac-11
0.305
MAK-UNK-0d6072ac-37
0.301
MAK-UNK-10dfa458-34
0.286
MAK-UNK-0d6072ac-33
0.286
MAK-UNK-0d6072ac-10
0.286
MAK-UNK-0d6072ac-32
0.279
MAK-UNK-10dfa458-37
0.279
MAK-UNK-10dfa458-33
0.279
MAK-UNK-0d6072ac-34
0.271
MAK-UNK-0d6072ac-26
0.268
EVA-UNK-a6bd3264-1
0.267
MAK-UNK-10dfa458-28
0.262
MAK-UNK-0d6072ac-22
0.262
MAK-UNK-0d6072ac-2
0.256
MAK-UNK-0d6072ac-20
0.247
MAT-POS-fce787c2-3
0.228
MAR-TRE-87acfbcc-79
0.227
MAR-TRE-d3c2bf0e-40
0.225
SID-ELM-8b394441-14
0.225
MAK-UNK-f203cb68-17
0.223
MAR-TRE-92684b97-80
0.221
MAR-TRE-d3c2bf0e-46
0.216
TRY-UNI-2eddb1ff-3
0.216
SAM-UNK-2684b532-5
0.215
SAM-UNK-2684b532-6
0.215
LON-WEI-1908424e-9
0.214
MAK-UNK-f203cb68-21
0.214
RED-RED-10c9212c-14
0.214
MAK-UNK-230cdef2-5
0.212
MAK-UNK-2c1752f0-2
0.211
JOH-UNI-7a6e29a5-5
0.211
MAR-TRE-87acfbcc-35
0.209
SID-ELM-b654bfa2-18
0.209
MAR-TRE-799db12b-100
0.209
MAK-UNK-230cdef2-3
0.207
MAK-UNK-0d6072ac-23
0.207
MAK-UNK-0d6072ac-13
0.207
JAN-GHE-83b26c96-7
0.207
JAN-GHE-83b26c96-6
0.207
MAT-POS-1f3f1a6f-2
0.206
MAR-TRE-87acfbcc-36
0.205
MAR-TRE-799db12b-61
0.205
MAR-TRE-799db12b-96
0.205
BAR-COM-0f94fc3d-46
0.205
MAR-TRE-87acfbcc-25
0.205
MAR-TRE-8190bb11-72
0.205
JAN-GHE-83b26c96-2
0.204
JOH-UNI-0304dea8-2
0.204
MAR-TRE-9d18ae8c-26
0.204
MAK-UNK-f203cb68-2
0.204
MAR-TRE-87acfbcc-69
0.203
MAR-TRE-87acfbcc-38
0.203
JAN-GHE-83b26c96-3
0.202
MAK-UNK-230cdef2-10
0.202
MAT-POS-590ac91e-40
0.200
MAR-TRE-87acfbcc-91
0.200
SAM-UNK-2684b532-7
0.200
MAR-TRE-87acfbcc-92
0.200
MAK-UNK-f203cb68-22
0.200
VLA-UNK-9a7dc93f-6
0.200
MAR-TRE-d3c2bf0e-28
0.200
MAR-TRE-87acfbcc-3
0.200
SID-ELM-8b394441-13
0.200
MAR-TRE-c317dd82-16
0.198
MAT-POS-fce787c2-11
0.198
TRY-UNI-2eddb1ff-5
0.198
TRY-UNI-2eddb1ff-4
0.198
MAR-TRE-799db12b-79
0.198
TRY-UNI-714a760b-18
0.198
JAN-GHE-83b26c96-4
0.198
JAN-GHE-83b26c96-5
0.198
MAR-TRE-87acfbcc-22
0.198