Molecular Properties | |
SMILES: | CN(c1ccsc1)c1ccnc(C#N)n1 |
MW: | 216.05 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 52.81 |
cLogP: | 2.18 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-22
0.517
MAK-UNK-ed378e62-37
0.491
MAK-UNK-ed378e62-15
0.483
MAK-UNK-7732b35b-33
0.403
MAK-UNK-ed378e62-18
0.390
MAK-UNK-72659d64-5
0.387
MAK-UNK-ed378e62-24
0.381
MAK-UNK-ed378e62-23
0.381
MAK-UNK-849bee6c-15
0.365
MAK-UNK-ed378e62-3
0.346
MAK-UNK-ed378e62-1
0.346
MAK-UNK-ed378e62-5
0.339
AAR-RCN-37d0aa00-1
0.327
MAK-UNK-ed378e62-9
0.321
MAK-UNK-ed378e62-7
0.316
MAK-UNK-72659d64-8
0.309
MAK-UNK-ed378e62-31
0.306
MAK-UNK-ed378e62-27
0.305
MAK-UNK-ed378e62-17
0.302
MAK-UNK-ed378e62-19
0.299
MAK-UNK-ed378e62-20
0.299
MAK-UNK-ed378e62-21
0.299
MAK-UNK-ed378e62-14
0.292
MAK-UNK-ed378e62-35
0.286
MAK-UNK-ed378e62-36
0.273
MAK-UNK-ed378e62-33
0.270
MAK-UNK-ed378e62-12
0.269
MAK-UNK-ed378e62-16
0.269
MAK-UNK-ed378e62-13
0.269
MAK-UNK-ed378e62-29
0.266
MAK-UNK-ed378e62-11
0.266
MAK-UNK-72659d64-4
0.261
MAK-UNK-72659d64-1
0.258
SWA-SYN-59528602-2
0.253
JOO-IND-b2fae8f6-1
0.247
MAK-UNK-7732b35b-17
0.246
AAR-POS-f650c5f2-3
0.240
MAK-UNK-ed378e62-43
0.238
MAK-UNK-7732b35b-21
0.235
MAK-UNK-ed378e62-10
0.232
MAK-UNK-7732b35b-18
0.227
MAK-UNK-5e88aa6a-14
0.226
MAK-UNK-ed378e62-32
0.224
MAK-UNK-849bee6c-2
0.223
MAK-UNK-ed378e62-2
0.222
MAK-UNK-ed378e62-26
0.222
MAK-UNK-7732b35b-29
0.217
MAK-UNK-7732b35b-25
0.217
MAK-UNK-72659d64-14
0.212
MAK-UNK-72659d64-7
0.212
MAK-UNK-7732b35b-32
0.211
MAK-UNK-849bee6c-3
0.211
AAR-RCN-9c8a34f0-1
0.211
AAR-RCN-748c104b-1
0.211
MAK-UNK-ed378e62-6
0.211
MAK-UNK-5e88aa6a-13
0.210
MAK-UNK-849bee6c-6
0.207
MAK-UNK-ed378e62-28
0.206
MAK-UNK-ed378e62-30
0.206
AAR-RCN-8752a6eb-1
0.200
MAK-UNK-72659d64-6
0.200
MAK-UNK-72659d64-16
0.200
MAK-UNK-ed378e62-4
0.200
MAK-UNK-72659d64-13
0.200
AAR-RCN-98de6bc7-1
0.200
MAK-UNK-849bee6c-13
0.198
MAK-UNK-849bee6c-17
0.198
MAK-UNK-72659d64-15
0.192
ABI-SAT-ddc50085-4
0.191
MAK-UNK-ed378e62-34
0.191
MAR-TRE-6c5ef77a-98
0.190
MAK-UNK-ed378e62-8
0.190
MAK-UNK-849bee6c-8
0.188
MAK-UNK-acefcb18-9
0.186
MAK-UNK-5e88aa6a-15
0.185
MAR-TRE-6c5ef77a-36
0.184
ALP-POS-a3de0cb1-7
0.184
MAK-UNK-7732b35b-5
0.183
MAK-UNK-9955b1f3-5
0.183
VIK-SYN-9a3d118a-8
0.183
MAR-TRE-a3327163-67
0.183
NJA-MAN-00c90aa2-6
0.183
JOO-IND-b2fae8f6-2
0.182
PET-UNK-55f647aa-3
0.182
MAR-TRE-a3327163-90
0.181
PET-UNK-55f647aa-2
0.180
MAR-TRE-1c920f6f-78
0.179
DRV-UNK-7620afc8-1
0.179
AAR-RCN-ec065b93-1
0.179
AAR-RCN-934be69e-1
0.179
MAK-UNK-ed378e62-38
0.177
MAR-TRE-6c5ef77a-70
0.177
UNK-UNK-2ede4078-44
0.177
MAR-TRE-0fda4e82-44
0.176
MAK-UNK-acefcb18-3
0.176
MAK-UNK-72659d64-9
0.176
MAK-UNK-ca11b4f7-4
0.175
PET-UNK-1901c25b-1
0.175
MAR-TRE-a3327163-20
0.174
MAR-TRE-6c5ef77a-37
0.174