Molecular Properties | |
SMILES: | CN(Cc1cnc(C#N)nc1)C(=O)CCl |
MW: | 224.05 |
Fraction sp3: | 0.33 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 69.88 |
cLogP: | 0.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-7
0.520
MAK-UNK-72659d64-15
0.508
MAK-UNK-72659d64-16
0.481
MAK-UNK-72659d64-8
0.466
MAK-UNK-72659d64-2
0.444
MAK-UNK-72659d64-5
0.390
MAK-UNK-72659d64-3
0.389
MAK-UNK-72659d64-13
0.387
MAK-UNK-72659d64-14
0.382
MAR-TRE-6a44bbf2-94
0.365
MAK-UNK-849bee6c-9
0.329
MAK-UNK-ed378e62-39
0.327
MAK-UNK-ed378e62-2
0.319
MAK-UNK-ed378e62-4
0.319
AAR-RCN-98de6bc7-1
0.319
AAR-RCN-934be69e-1
0.319
MAK-UNK-849bee6c-14
0.316
MAK-UNK-849bee6c-7
0.316
MAK-UNK-849bee6c-16
0.309
MAK-UNK-ed378e62-29
0.305
MAK-UNK-72659d64-11
0.303
MAK-UNK-ed378e62-6
0.300
MAK-UNK-ed378e62-8
0.300
MAK-UNK-ed378e62-10
0.300
MAK-UNK-ed378e62-28
0.300
AAR-RCN-9c8a34f0-1
0.300
MAK-UNK-ed378e62-43
0.298
MAK-UNK-72659d64-10
0.298
MAK-UNK-72659d64-9
0.297
AAR-RCN-ec065b93-1
0.292
VIK-SYN-9a3d118a-8
0.292
MAK-UNK-ed378e62-36
0.290
MAK-UNK-9955b1f3-5
0.290
MAK-UNK-72659d64-12
0.279
MAK-UNK-ed378e62-37
0.279
MAK-UNK-ed378e62-38
0.278
MAK-UNK-849bee6c-4
0.277
MAK-UNK-849bee6c-12
0.277
MAK-UNK-72659d64-1
0.274
YOI-UNK-144e4c15-3
0.270
MAK-UNK-ed378e62-41
0.263
MAK-UNK-ed378e62-27
0.259
MAK-UNK-72659d64-4
0.258
AAR-RCN-67438d21-1
0.254
VIK-SYN-9a3d118a-7
0.254
MAK-UNK-72659d64-18
0.250
SAD-SAT-d8079f6f-8
0.250
JUL-TUD-06b2044f-65
0.250
VIK-SYN-bf9c9ac8-5
0.250
VIK-SYN-bf9c9ac8-8
0.246
VIK-SYN-9a3d118a-6
0.246
MAK-UNK-6ca90168-29
0.246
MAK-UNK-ed378e62-33
0.246
MAK-UNK-72659d64-17
0.246
MAK-UNK-849bee6c-15
0.244
JOH-UNI-3fc3434e-9
0.244
JOH-UNI-ee5ed7c8-9
0.244
MAR-TRE-6a44bbf2-98
0.243
MAR-TRE-87acfbcc-27
0.243
MAR-TRE-6a44bbf2-85
0.242
MAK-UNK-ed378e62-31
0.242
MAK-UNK-f983951f-26
0.242
MAK-UNK-ed378e62-34
0.242
MAK-UNK-ed378e62-40
0.241
THO-SYG-98fc3427-3
0.239
DAN-PUR-19f24f0c-2
0.238
PET-UNK-bbe8d7ff-2
0.237
MAK-UNK-ed378e62-26
0.237
MAK-UNK-ed378e62-42
0.237
AAR-POS-f650c5f2-3
0.234
SAD-SAT-6b5a89f0-3
0.233
MAK-UNK-849bee6c-17
0.233
TAT-ENA-80bfd3e5-42
0.232
MAT-POS-fa06b69f-8
0.232
NIR-THE-0d6461ce-6
0.232
DAV-CRI-d1e0885a-2
0.232
MAK-UNK-9955b1f3-9
0.231
THO-SYG-98fc3427-4
0.229
MAK-UNK-849bee6c-23
0.229
MAR-TRE-1c920f6f-26
0.229
MAK-UNK-ed378e62-9
0.228
DAR-DIA-fb20be43-4
0.228
BRU-LEF-ae0885ba-1
0.228
PAU-UNI-52c0427f-1
0.228
MAK-UNK-f983951f-23
0.226
MAR-TRE-6a44bbf2-50
0.225
MAR-TRE-6a44bbf2-64
0.225
THO-SYG-98fc3427-5
0.224
MAK-UNK-849bee6c-22
0.223
MAR-TRE-6a44bbf2-80
0.222
MAK-UNK-9955b1f3-17
0.222
MAK-UNK-ed378e62-3
0.222
MAK-UNK-ed378e62-35
0.222
MAK-UNK-6ca90168-14
0.221
DRR-IMP-38dce17f-7
0.221
MAR-TRE-87acfbcc-11
0.221
SAD-SAT-d8079f6f-7
0.220
MAK-UNK-849bee6c-2
0.220
EDG-MED-0da5ad92-13
0.219
MAK-UNK-ed378e62-30
0.219