Molecular Properties | |
SMILES: | CN(C(=O)CCl)c1cc(N(C)C(=O)CCl)nc(C#N)n1 |
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-72659d64-5
0.560
MAK-UNK-72659d64-7
0.469
MAK-UNK-72659d64-16
0.462
MAK-UNK-72659d64-13
0.414
MAK-UNK-72659d64-6
0.382
MAK-UNK-72659d64-8
0.373
MAK-UNK-72659d64-10
0.373
MAK-UNK-72659d64-12
0.370
MAK-UNK-72659d64-15
0.349
SAD-SAT-d8079f6f-8
0.320
MAK-UNK-72659d64-17
0.309
YOI-UNK-144e4c15-3
0.304
AAR-RCN-748c104b-1
0.298
MAK-UNK-72659d64-9
0.295
MAK-UNK-72659d64-1
0.293
MAK-UNK-72659d64-3
0.291
AAR-RCN-8752a6eb-1
0.289
MAK-UNK-72659d64-18
0.288
MAK-UNK-72659d64-2
0.276
MAK-UNK-72659d64-4
0.274
SAD-SAT-6b5a89f0-3
0.273
VIK-SYN-9a3d118a-8
0.271
MAK-UNK-849bee6c-15
0.271
MAK-UNK-849bee6c-14
0.266
MAK-UNK-72659d64-11
0.262
MAR-TRE-6a44bbf2-94
0.262
JOH-UNI-3fc3434e-9
0.256
JOH-UNI-ee5ed7c8-9
0.256
DAN-PUR-19f24f0c-2
0.254
MAK-UNK-849bee6c-7
0.247
MAK-UNK-942dcb71-1
0.246
SAD-SAT-d8079f6f-9
0.245
MAK-UNK-849bee6c-2
0.244
MAK-UNK-849bee6c-3
0.244
MAR-TRE-a3327163-38
0.244
MAK-UNK-849bee6c-9
0.244
YOI-UNK-144e4c15-1
0.243
MAR-TRE-a3327163-11
0.243
MAK-UNK-942dcb71-2
0.243
VIK-SYN-bf9c9ac8-8
0.242
VIK-SYN-9a3d118a-6
0.242
YOI-UNK-4c10088f-2
0.242
MAK-UNK-6ca90168-29
0.242
MAK-UNK-849bee6c-6
0.241
MAR-TRE-6a44bbf2-64
0.239
MAR-TRE-6a44bbf2-98
0.239
MAR-TRE-0fda4e82-30
0.238
TAM-UNI-d1c3dd9f-18
0.237
SAD-SAT-d8079f6f-7
0.236
MAR-TRE-6a44bbf2-46
0.236
MAK-UNK-752736de-1
0.235
MAR-TRE-a3327163-60
0.234
DAR-DIA-fb20be43-3
0.234
MAK-UNK-849bee6c-22
0.233
MAK-UNK-849bee6c-25
0.233
MAK-UNK-849bee6c-8
0.233
SAD-SAT-d8079f6f-10
0.232
MAR-TRE-a3327163-21
0.232
MAR-TRE-6a44bbf2-29
0.232
MAK-UNK-ed378e62-22
0.231
MAK-UNK-849bee6c-13
0.230
MAK-UNK-849bee6c-17
0.230
MAR-TRE-0fda4e82-82
0.230
MAR-TRE-1c920f6f-29
0.230
MAR-TRE-1c920f6f-53
0.230
MAR-TRE-1c920f6f-94
0.230
MAK-UNK-849bee6c-4
0.229
MAK-UNK-849bee6c-16
0.229
MAK-UNK-849bee6c-12
0.229
MAR-TRE-a3327163-25
0.229
MAT-POS-ee51dedd-1
0.229
VIK-SYN-9a3d118a-7
0.228
MAR-TRE-6a44bbf2-88
0.228
NIR-THE-0d6461ce-7
0.228
MAT-POS-fa06b69f-4
0.228
TAT-ENA-80bfd3e5-32
0.228
MAT-POS-fa06b69f-8
0.227
TAT-ENA-80bfd3e5-42
0.227
MAK-UNK-849bee6c-23
0.226
MAK-UNK-ed378e62-14
0.226
SAL-INS-1c7a5a55-4
0.225
IND-SYN-aa221fbf-1
0.224
IND-SYN-2c708b29-5
0.224
IND-SYN-2c708b29-4
0.224
MAK-UNK-6c8f5f75-5
0.224
PAU-UNI-52c0427f-1
0.224
BRU-LEF-ae0885ba-1
0.224
DAR-DIA-fb20be43-4
0.224
MAK-UNK-849bee6c-26
0.223
MAR-TRE-85681e92-35
0.222
MAK-UNK-ed378e62-9
0.222
VIK-SYN-bf9c9ac8-5
0.222
MAR-TRE-a3327163-17
0.221
MAR-TRE-6a44bbf2-50
0.221
MAR-TRE-87acfbcc-27
0.221
MAR-TRE-6a44bbf2-77
0.221
DRR-IMP-dff87f5e-9
0.221
MAK-UNK-f983951f-23
0.220
AAR-RCN-37d0aa00-1
0.220
MAR-TRE-a3327163-6
0.219