Molecular Properties | |
SMILES: | CN(C(=O)CCl)c1cnc(C#N)nc1N(C)C(=O)CCl |
MW: | 315.03 |
Fraction sp3: | 0.36 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 90.19 |
cLogP: | 0.75 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-7
0.464
MAK-UNK-72659d64-5
0.419
MAK-UNK-72659d64-14
0.414
MAK-UNK-72659d64-6
0.387
MAK-UNK-72659d64-15
0.377
MAK-UNK-72659d64-8
0.358
MAK-UNK-72659d64-16
0.344
YOI-UNK-144e4c15-3
0.333
MAK-UNK-72659d64-9
0.328
MAK-UNK-72659d64-3
0.328
MAK-UNK-72659d64-2
0.312
MAK-UNK-72659d64-11
0.296
MAK-UNK-72659d64-4
0.290
MAK-UNK-72659d64-1
0.288
MAK-UNK-849bee6c-14
0.279
MAK-UNK-72659d64-12
0.273
MAK-UNK-72659d64-10
0.270
SAD-SAT-d8079f6f-8
0.267
MAK-UNK-849bee6c-9
0.259
MAK-UNK-ed378e62-43
0.250
MAK-UNK-849bee6c-7
0.247
MAK-UNK-9955b1f3-5
0.246
AAR-RCN-37d0aa00-1
0.246
MAK-UNK-849bee6c-4
0.244
MAK-UNK-72659d64-17
0.242
MAK-UNK-849bee6c-15
0.242
JOH-UNI-3fc3434e-9
0.242
MAK-UNK-849bee6c-6
0.242
JOH-UNI-ee5ed7c8-9
0.242
MAK-UNK-ed378e62-3
0.241
MAK-UNK-849bee6c-23
0.240
MAK-UNK-849bee6c-26
0.238
VIK-SYN-9a3d118a-8
0.237
MAK-UNK-ed378e62-4
0.236
AAR-RCN-934be69e-1
0.236
MAK-UNK-ed378e62-2
0.236
DAN-PUR-19f24f0c-2
0.235
MAR-TRE-a3327163-37
0.235
MAK-UNK-ed378e62-37
0.235
MAK-UNK-849bee6c-8
0.234
MAK-UNK-849bee6c-12
0.231
MAK-UNK-849bee6c-16
0.231
MAK-UNK-ed378e62-36
0.229
MAK-UNK-72659d64-18
0.229
MAK-UNK-ed378e62-9
0.226
MAK-UNK-6ca90168-29
0.225
MAK-UNK-ed378e62-6
0.224
MAK-UNK-ed378e62-8
0.224
MAK-UNK-ed378e62-10
0.224
AAR-RCN-9c8a34f0-1
0.224
MAR-TRE-6a44bbf2-98
0.224
MAR-TRE-87acfbcc-27
0.224
DAR-DIA-fb20be43-3
0.221
MAR-TRE-a3327163-24
0.221
MAK-UNK-ed378e62-1
0.220
MAK-UNK-849bee6c-3
0.219
MAK-UNK-849bee6c-13
0.219
MAK-UNK-849bee6c-17
0.219
MAK-UNK-849bee6c-2
0.219
MIC-UNK-67d4a29a-1
0.218
MAT-POS-bb423b95-7
0.218
JAG-UCB-a3ef7265-16
0.218
MAR-TRE-6c5ef77a-69
0.217
NIM-UNI-0ea3b7bf-3
0.216
MAK-UNK-e0fdfe28-1
0.215
FAB-NA_-a0010840-1
0.215
AAR-RCN-98de6bc7-1
0.214
AAR-RCN-ec065b93-1
0.214
MIC-UNK-67d4a29a-3
0.213
TAT-ENA-80bfd3e5-42
0.213
MAT-POS-fa06b69f-8
0.213
MAR-TRE-0fda4e82-77
0.212
YOI-UNK-144e4c15-1
0.212
SAD-SAT-6b5a89f0-3
0.212
DAR-DIA-fb20be43-4
0.212
PAU-UNI-52c0427f-1
0.212
BRU-LEF-ae0885ba-1
0.212
MAR-TRE-6c5ef77a-37
0.212
MIC-UNK-67d4a29a-2
0.211
VIK-SYN-9a3d118a-6
0.211
VIK-SYN-bf9c9ac8-8
0.211
JOH-UNI-3fc3434e-5
0.211
JOH-UNI-ee5ed7c8-5
0.211
MAK-UNK-ed378e62-38
0.210
TAM-UNI-d1c3dd9f-18
0.209
MAR-TRE-a3327163-17
0.209
MIC-UNK-67d4a29a-4
0.209
MAR-TRE-85681e92-35
0.208
YOI-UNK-4c10088f-2
0.208
MAR-TRE-6a44bbf2-64
0.208
EDG-MED-0da5ad92-1
0.207
JAN-GHE-83b26c96-15
0.207
MAR-TRE-423310b6-92
0.207
SAD-SAT-89668ff1-9
0.207
JOH-UNI-3fc3434e-13
0.207
JOH-UNI-ee5ed7c8-13
0.207
MAK-UNK-9955b1f3-10
0.206
THO-SYG-98fc3427-6
0.206
MAK-UNK-ed378e62-15
0.205
MAR-TRE-6a44bbf2-85
0.205