Molecular Properties | |
SMILES: | CN(Cc1ccnc(C#N)n1)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-72659d64-16
0.574
MAK-UNK-72659d64-5
0.500
MAK-UNK-72659d64-4
0.492
MAK-UNK-72659d64-6
0.466
MAK-UNK-72659d64-15
0.446
MAK-UNK-72659d64-1
0.400
MAK-UNK-72659d64-7
0.373
MAK-UNK-72659d64-14
0.373
MAK-UNK-ed378e62-12
0.365
MAK-UNK-72659d64-13
0.358
MAK-UNK-ed378e62-19
0.354
MAK-UNK-849bee6c-8
0.353
AAR-RCN-37d0aa00-1
0.346
MAK-UNK-ed378e62-3
0.340
MAK-UNK-ed378e62-1
0.340
MAK-UNK-ed378e62-9
0.339
MAK-UNK-72659d64-12
0.317
MAK-UNK-849bee6c-15
0.315
MAK-UNK-ed378e62-5
0.310
MAK-UNK-ed378e62-7
0.310
MAK-UNK-ed378e62-25
0.309
MAR-TRE-6a44bbf2-94
0.300
MAK-UNK-ed378e62-15
0.299
MAK-UNK-72659d64-9
0.294
MAK-UNK-ed378e62-22
0.290
MAK-UNK-849bee6c-2
0.289
MAK-UNK-ed378e62-14
0.288
MAK-UNK-849bee6c-6
0.287
MAK-UNK-ed378e62-21
0.275
MAK-UNK-849bee6c-3
0.275
MAK-UNK-849bee6c-13
0.275
MAK-UNK-849bee6c-17
0.275
MAK-UNK-72659d64-10
0.274
MAK-UNK-72659d64-3
0.270
MAK-UNK-72659d64-17
0.266
MAK-UNK-72659d64-11
0.264
VIK-SYN-bf9c9ac8-8
0.264
VIK-SYN-9a3d118a-6
0.264
MAK-UNK-ed378e62-11
0.262
MAK-UNK-72659d64-2
0.258
MAK-UNK-ed378e62-18
0.258
MAK-UNK-ed378e62-17
0.258
MAK-UNK-ed378e62-24
0.257
VIK-SYN-9a3d118a-8
0.256
SAD-SAT-d8079f6f-8
0.250
MAK-UNK-be3f299e-1
0.250
MAK-UNK-ed378e62-16
0.246
MAK-UNK-ed378e62-13
0.246
JOH-UNI-3fc3434e-9
0.244
JOH-UNI-ee5ed7c8-9
0.244
MAR-TRE-6c5ef77a-37
0.244
MAR-TRE-6a44bbf2-98
0.243
MAR-TRE-6a44bbf2-85
0.243
ALE-UNK-fca05062-9
0.241
MAR-TRE-6a44bbf2-80
0.240
MAK-UNK-ed378e62-20
0.239
MAK-UNK-ed378e62-23
0.239
MAK-UNK-849bee6c-14
0.239
YOI-UNK-144e4c15-3
0.237
PET-SGC-cb62ec31-1
0.237
AAR-POS-f650c5f2-3
0.235
VIK-SYN-9a3d118a-7
0.234
MAK-UNK-849bee6c-16
0.233
TAT-ENA-80bfd3e5-42
0.233
MAT-POS-fa06b69f-8
0.233
MAK-UNK-72659d64-18
0.232
MAK-UNK-9955b1f3-5
0.232
DRV-UNK-7620afc8-1
0.231
VIK-SYN-bf9c9ac8-5
0.230
RAF-SAT-b3ff87a1-4
0.229
MAK-UNK-6ca90168-29
0.229
MAR-TRE-6c5ef77a-57
0.229
JAN-GHE-bf40f168-13
0.227
MAR-TRE-6a44bbf2-64
0.227
JOO-IND-b2fae8f6-1
0.227
MAR-TRE-6a44bbf2-46
0.225
MAK-UNK-f983951f-26
0.224
SAD-SAT-d8079f6f-7
0.222
THO-SYG-98fc3427-3
0.222
MAK-UNK-849bee6c-7
0.221
JUL-TUD-06b2044f-65
0.220
SAD-SAT-d8079f6f-10
0.219
MAK-UNK-849bee6c-9
0.218
AAR-RCN-98de6bc7-1
0.218
MAR-TRE-6a44bbf2-76
0.218
MAK-UNK-849bee6c-23
0.218
MAK-UNK-849bee6c-26
0.216
SAD-SAT-6b5a89f0-3
0.215
MAR-TRE-0fda4e82-77
0.215
MAR-TRE-0fda4e82-40
0.214
MAR-TRE-1c920f6f-91
0.212
MAK-UNK-849bee6c-22
0.212
MAR-TRE-a3327163-17
0.212
MAR-TRE-87acfbcc-13
0.211
MAR-TRE-8a25d817-96
0.211
MAK-UNK-f983951f-23
0.209
AAR-POS-0daf6b7e-20
0.209
MAR-TRE-c8530538-61
0.208
SAL-INS-1c7a5a55-9
0.207
MAK-UNK-849bee6c-4
0.207