Molecular Properties | |
SMILES: | O=C(NCc1cnn(C(=O)CCl)c1)c1cccnc1 |
MW: | 278.06 |
Fraction sp3: | 0.17 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 76.88 |
cLogP: | 1.09 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
acyl_pyrazole
N-Acyl substituted azoheterocycles
LON-WEI-8f408cad-3
MAK-UNK-10dfa458-36
0.652
MAK-UNK-2c1752f0-1
0.585
STE-KUL-2e0d2e88-3
0.440
MAK-UNK-ec98eaf6-20
0.386
MAR-TRE-4f781e27-2
0.373
SAN-PRS-52b81272-1
0.356
MAR-TRE-fd17a9b8-62
0.353
LON-WEI-120e5cf5-11
0.342
MAR-TRE-92684b97-81
0.341
DRR-IMP-38dce17f-4
0.324
SAD-SAT-29425be4-27
0.319
MAR-TRE-66ac689e-26
0.317
MAR-TRE-e86a56b5-35
0.313
DAR-DIA-bd041b9b-19
0.312
PEI-IMP-ca0b2813-1
0.312
MAR-TRE-66ac689e-21
0.306
WAR-XCH-79d12f6e-8
0.305
NIM-UNI-310206f0-43
0.302
DAN-PUR-3907f623-3
0.300
MAR-TRE-4f781e27-34
0.299
MAR-TRE-8a25d817-48
0.299
NAU-LAT-64f4b287-9
0.297
WAR-XCH-79d12f6e-5
0.295
MAK-UNK-ca11b4f7-1
0.294
MAR-TRE-66ac689e-20
0.294
DAR-DIA-bd041b9b-26
0.293
MAR-TRE-6a44bbf2-70
0.291
MAR-TRE-92684b97-78
0.289
NIM-UNI-310206f0-46
0.289
DAR-DIA-bd041b9b-29
0.289
SER-UNI-985a0e14-2
0.287
DAR-DIA-bd041b9b-20
0.286
MAR-TRE-4b834d9a-57
0.286
MAR-TRE-fd17a9b8-92
0.283
MAR-TRE-8190bb11-24
0.282
MAR-TRE-8190bb11-85
0.282
PEI-IMP-ca0b2813-4
0.281
NIM-UNI-05f93fcc-6
0.281
MAR-TRE-8190bb11-50
0.280
MAR-TRE-4f781e27-92
0.279
DAR-DIA-842b4336-11
0.278
CHA-MCP-85291e1d-7
0.276
MAK-UNK-5d2caa6f-1
0.276
MAR-TRE-8190bb11-13
0.275
MAR-TRE-66ac689e-12
0.274
MAR-TRE-799db12b-52
0.273
MAR-TRE-9d18ae8c-34
0.272
MAR-TRE-9d18ae8c-74
0.271
MAR-TRE-9d18ae8c-46
0.270
MAR-TRE-8190bb11-34
0.270
JUL-TUD-06b2044f-128
0.270
TIM-UNK-6bd61028-2
0.270
THO-SYG-f9b2970d-1
0.269
MAR-TRE-9d18ae8c-65
0.269
MAR-TRE-799db12b-35
0.268
MAR-TRE-4f781e27-99
0.268
MAR-TRE-9d18ae8c-89
0.268
WAR-XCH-b0339bbe-19
0.268
MIC-SGC-657978c3-2
0.267
MAR-TRE-4f781e27-100
0.267
MAR-TRE-799db12b-72
0.267
MAR-TRE-c317dd82-59
0.267
MAR-TRE-799db12b-76
0.266
MAR-TRE-9d18ae8c-16
0.266
MAR-TRE-fd17a9b8-44
0.265
NIM-UNI-0ea3b7bf-5
0.265
MAK-UNK-8fdbca50-30
0.265
MAR-TRE-799db12b-44
0.264
RAL-MED-2de63afb-5
0.264
SAD-SAT-135344c3-2
0.264
SAD-SAT-5b1897b2-1
0.263
BEN-DND-031a96cc-8
0.263
DAR-DIA-bd041b9b-17
0.263
MAR-TRE-92684b97-11
0.262
MAR-TRE-92684b97-82
0.261
MAR-TRE-8190bb11-86
0.261
DAR-DIA-bd041b9b-14
0.261
MAR-TRE-8190bb11-8
0.261
WIL-UNI-5578df48-16
0.261
MAR-TRE-04c86cea-90
0.261
MAK-UNK-8fdbca50-27
0.261
MAK-UNK-8fdbca50-28
0.261
NIM-UNI-7ba87d62-4
0.260
MAK-UNK-d1e89583-1
0.260
MAK-UNK-a7b37c5e-4
0.260
MAR-TRE-04c86cea-86
0.259
MAR-TRE-be9ff7d2-17
0.259
MAR-TRE-4f781e27-88
0.258
WIL-UNI-5578df48-17
0.258
MAR-TRE-799db12b-14
0.258
MAR-TRE-a9136c7b-86
0.258
MED-COV-4280ac29-28
0.258
MAK-UNK-8fdbca50-12
0.258
MAR-TRE-92684b97-6
0.258
DAV-CRI-1c77f7a9-1
0.258
NIM-UNI-310206f0-65
0.257
MAK-UNK-8fdbca50-31
0.256
MAK-UNK-8fdbca50-26
0.256
BEN-DND-61647d40-20
0.256
STE-KUL-2e0d2e88-1
0.256