Molecular Properties | |
SMILES: | N#CCCN(Cc1cccnc1)c1cnc(CCl)[nH]1 |
MW: | 275.09 |
Fraction sp3: | 0.31 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 6 |
TPSA: | 68.6 |
cLogP: | 2.46 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Filter6_benzyl_halide
Alkyl Halide
MAR-TRE-87acfbcc-66
0.530
MAR-TRE-87acfbcc-96
0.479
MAR-TRE-87acfbcc-39
0.425
MAR-TRE-87acfbcc-31
0.378
MAR-TRE-87acfbcc-76
0.375
MAR-TRE-87acfbcc-26
0.364
MAR-TRE-87acfbcc-52
0.338
MAR-TRE-87acfbcc-64
0.338
MAR-TRE-423310b6-43
0.333
MAR-TRE-85681e92-95
0.329
MAR-TRE-87acfbcc-74
0.312
MAR-TRE-0fda4e82-32
0.289
MAR-TRE-423310b6-46
0.282
MAR-TRE-87acfbcc-92
0.280
MAR-TRE-87acfbcc-71
0.273
STE-UNK-dfade101-1
0.273
BEN-DND-61647d40-7
0.267
MAR-TRE-87acfbcc-69
0.267
MAR-TRE-87acfbcc-40
0.264
MAR-TRE-87acfbcc-30
0.263
MAR-TRE-87acfbcc-6
0.263
BEN-DND-61647d40-8
0.262
SAD-SAT-29425be4-27
0.260
MAK-UNK-ca11b4f7-4
0.258
MAR-TRE-87acfbcc-24
0.256
MIC-SGC-657978c3-4
0.256
MAR-TRE-87acfbcc-68
0.253
DRR-IMP-38dce17f-4
0.253
MIC-SGC-657978c3-2
0.250
DAV-CRI-1c77f7a9-8
0.248
MAR-TRE-c8530538-54
0.247
MAR-TRE-87acfbcc-23
0.247
DAR-DIA-23aa0b97-6
0.247
DAR-DIA-23aa0b97-4
0.247
LON-WEI-adc59df6-78
0.245
MAR-TRE-c8530538-92
0.245
MAR-TRE-14ce9fd6-42
0.245
MAR-TRE-b77b7921-49
0.245
MAR-TRE-87acfbcc-27
0.244
MAR-TRE-87acfbcc-82
0.244
ANT-DIA-b7f58f21-1
0.243
MAK-UNK-30aad1f1-6
0.242
BAR-COM-4e090d3a-69
0.242
JAR-KUA-8c13982c-9
0.242
BEN-BAS-d50bea19-1
0.242
MAR-TRE-87acfbcc-77
0.241
MAR-TRE-2fd8122f-69
0.241
ANT-DIA-3c79be55-2
0.241
MAR-TRE-1c920f6f-9
0.241
MAR-TRE-d3c2bf0e-55
0.240
MAR-TRE-87acfbcc-3
0.239
MIC-SGC-657978c3-3
0.237
MAT-POS-3d050446-1
0.234
MAR-TRE-87acfbcc-70
0.234
BRU-THA-92256091-11
0.234
MIC-SGC-657978c3-1
0.233
BEN-DND-61647d40-17
0.233
MAR-TRE-4f781e27-29
0.233
MAT-POS-b5746674-1
0.231
DAV-CRI-1c77f7a9-1
0.230
MAR-TRE-87acfbcc-90
0.229
MAR-TRE-04c86cea-50
0.228
MAR-TRE-87acfbcc-98
0.228
MAR-TRE-a3327163-67
0.227
MAR-TRE-87acfbcc-1
0.227
BAR-COM-4e090d3a-55
0.226
WIL-UNI-354943b6-2
0.226
MAR-TRE-4f781e27-34
0.226
DAV-CRI-1c77f7a9-5
0.225
MAR-TRE-1c920f6f-64
0.225
MAR-TRE-0fda4e82-46
0.224
ALP-POS-e980f4ea-7
0.224
PET-UNK-55f647aa-3
0.223
MAR-TRE-87acfbcc-75
0.222
MIC-UNK-5ce21166-1
0.222
NIM-UNI-0ea3b7bf-3
0.221
MAR-TRE-87acfbcc-19
0.221
MAR-TRE-b77b7921-32
0.220
AGN-NEW-891393a6-9
0.220
ALP-UNI-c3ef0aba-3
0.219
MAR-TRE-87acfbcc-51
0.218
ALP-POS-780445ae-5
0.218
ALP-POS-ced8ea4d-7
0.218
MAR-TRE-c8530538-55
0.218
IAN-BAS-5ff43d1c-1
0.216
ANN-UNI-26382800-5
0.216
DAR-DIA-23aa0b97-17
0.216
BAR-COM-4e090d3a-47
0.216
ALP-POS-780445ae-6
0.216
JOR-UNI-61e7b1d5-9
0.214
MAK-UNK-30aad1f1-7
0.214
SIM-SYN-3099a863-3
0.214
ALP-UNI-fe744232-3
0.214
MAR-TRE-04c86cea-80
0.214
VIK-SYN-9a3d118a-8
0.213
MAR-TRE-2fd8122f-68
0.213
MAR-TRE-87acfbcc-20
0.212
SAD-SAT-24589cd1-4
0.212
NAU-LAT-64f4b287-9
0.212
ALP-POS-02c6a514-39
0.212