Molecular Properties | |
SMILES: | CN(C(=O)CCl)c1cnc(C#N)nc1 |
MW: | 210.03 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 69.88 |
cLogP: | 0.55 |
Covalent Warhead: | ✔️ |
Covalent Fragment: | ✔️ |
LON-WEI-8f408cad-3
MAK-UNK-72659d64-6
0.520
MAK-UNK-72659d64-14
0.469
MAK-UNK-72659d64-13
0.464
MAK-UNK-72659d64-5
0.444
MAK-UNK-72659d64-3
0.420
MAK-UNK-72659d64-15
0.417
SAD-SAT-d8079f6f-8
0.404
MAK-UNK-ed378e62-43
0.400
MAK-UNK-72659d64-2
0.396
MAK-UNK-849bee6c-14
0.389
MAK-UNK-72659d64-16
0.382
MAK-UNK-72659d64-8
0.373
MAK-UNK-ed378e62-37
0.370
MAK-UNK-72659d64-9
0.362
MAK-UNK-ed378e62-36
0.357
MAK-UNK-ed378e62-10
0.356
AAR-RCN-934be69e-1
0.349
MAK-UNK-ed378e62-4
0.349
MAK-UNK-ed378e62-2
0.349
MAK-UNK-849bee6c-7
0.333
MAK-UNK-849bee6c-9
0.329
AAR-RCN-9c8a34f0-1
0.326
MAK-UNK-ed378e62-6
0.326
MAK-UNK-ed378e62-8
0.326
YOI-UNK-144e4c15-3
0.324
MAK-UNK-72659d64-11
0.323
AAR-RCN-98de6bc7-1
0.318
AAR-RCN-ec065b93-1
0.318
MAK-UNK-849bee6c-4
0.308
MAK-UNK-849bee6c-16
0.308
MAK-UNK-849bee6c-12
0.308
MAK-UNK-ed378e62-38
0.300
MAK-UNK-72659d64-12
0.298
MAK-UNK-72659d64-10
0.296
MAK-UNK-72659d64-1
0.293
VIK-SYN-9a3d118a-8
0.290
MAK-UNK-6ca90168-29
0.283
SAD-SAT-d8079f6f-7
0.283
MAK-UNK-ed378e62-40
0.283
MAK-UNK-ed378e62-39
0.278
MAK-UNK-ed378e62-27
0.278
DAN-PUR-19f24f0c-2
0.276
MAK-UNK-72659d64-4
0.274
SAD-SAT-6b5a89f0-3
0.273
AAR-RCN-67438d21-1
0.273
JOH-UNI-3fc3434e-9
0.272
JOH-UNI-ee5ed7c8-9
0.272
MAK-UNK-849bee6c-15
0.271
MAK-UNK-72659d64-18
0.267
MAK-UNK-72659d64-17
0.263
YOI-UNK-144e4c15-1
0.261
MAK-UNK-ed378e62-41
0.259
MAK-UNK-ed378e62-29
0.259
MAK-UNK-ed378e62-31
0.259
AAR-POS-f650c5f2-3
0.256
MAK-UNK-ed378e62-26
0.255
MAK-UNK-ed378e62-42
0.255
SAD-SAT-d8079f6f-10
0.255
MAK-UNK-ed378e62-28
0.254
MAK-UNK-ed378e62-32
0.254
VIK-SYN-9a3d118a-7
0.250
MAK-UNK-9955b1f3-5
0.246
VIK-SYN-bf9c9ac8-5
0.245
MAK-UNK-ed378e62-9
0.245
NIR-THE-0d6461ce-7
0.244
VIK-SYN-9a3d118a-6
0.242
VIK-SYN-bf9c9ac8-8
0.242
MAR-TRE-85681e92-35
0.242
MAK-UNK-ed378e62-33
0.241
MAK-UNK-849bee6c-6
0.241
ASH-UNK-e28bb067-9
0.241
BRU-LEF-ae0885ba-1
0.240
PAU-UNI-52c0427f-1
0.240
DAR-DIA-fb20be43-4
0.240
MAK-UNK-ed378e62-3
0.240
MAK-UNK-849bee6c-23
0.239
MAR-TRE-6a44bbf2-98
0.239
MAR-TRE-87acfbcc-27
0.239
MAK-UNK-6ca90168-26
0.237
MAK-UNK-ed378e62-35
0.237
MAK-UNK-ed378e62-34
0.237
MAK-UNK-849bee6c-26
0.237
YOI-UNK-97f54f0c-1
0.235
MAR-LAB-efb042c5-6
0.234
THO-SYG-98fc3427-3
0.234
THO-SYG-98fc3427-5
0.234
ABI-SAT-aa268ad7-10
0.234
JIN-POS-6dc588a4-24
0.234
MAR-TRE-87acfbcc-12
0.233
MAK-UNK-ed378e62-30
0.233
JOH-UNI-ee5ed7c8-10
0.233
JOH-UNI-3fc3434e-10
0.233
MAK-UNK-849bee6c-8
0.233
MAK-UNK-e0fdfe28-1
0.232
MAK-UNK-849bee6c-3
0.230
MAK-UNK-849bee6c-13
0.230
MAK-UNK-849bee6c-17
0.230
YOI-UNK-144e4c15-2
0.230
SID-ELM-8b394441-18
0.230
MAT-POS-ee51dedd-1
0.229