Molecular Properties | |
SMILES: | N#Cc1ncc(Sc2cccs2)cn1 |
MW: | 218.99 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 49.57 |
cLogP: | 2.56 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-33
0.510
MAK-UNK-7732b35b-28
0.436
MAK-UNK-ed378e62-41
0.429
MAK-UNK-ed378e62-26
0.420
MAK-UNK-ed378e62-34
0.415
MAK-UNK-ed378e62-8
0.400
MAK-UNK-ed378e62-36
0.393
MAK-UNK-ed378e62-30
0.382
MAK-UNK-ed378e62-28
0.382
MAK-UNK-ed378e62-27
0.340
MAK-UNK-ed378e62-31
0.339
MAK-UNK-ed378e62-35
0.339
MAK-UNK-ed378e62-37
0.333
AAR-RCN-934be69e-1
0.333
MAK-UNK-ed378e62-29
0.316
MAK-UNK-ed378e62-17
0.310
MAK-UNK-ed378e62-21
0.306
AAR-RCN-98de6bc7-1
0.304
AAR-RCN-ec065b93-1
0.304
MAK-UNK-ed378e62-2
0.304
MAK-UNK-ed378e62-4
0.304
MAK-UNK-849bee6c-16
0.300
AAR-RCN-9c8a34f0-1
0.286
MAK-UNK-ed378e62-10
0.286
MAK-UNK-ed378e62-19
0.286
MAK-UNK-ed378e62-20
0.286
MAK-UNK-ed378e62-6
0.286
MAK-UNK-7732b35b-24
0.283
MAK-UNK-ed378e62-22
0.281
MAK-UNK-7732b35b-14
0.276
AAR-POS-f650c5f2-3
0.273
MAK-UNK-ed378e62-40
0.273
MAK-UNK-7732b35b-15
0.271
MAK-UNK-ed378e62-42
0.268
MAK-UNK-ed378e62-38
0.264
MAK-UNK-ed378e62-43
0.263
MAK-UNK-ed378e62-3
0.255
MAK-UNK-72659d64-7
0.254
MAK-UNK-7732b35b-20
0.254
MAK-UNK-7732b35b-32
0.250
MAK-UNK-ed378e62-18
0.246
MAK-UNK-ed378e62-39
0.246
AAR-RCN-67438d21-1
0.241
MAK-UNK-7732b35b-29
0.238
MAK-UNK-72659d64-3
0.237
MAK-UNK-ed378e62-9
0.236
LON-WEI-4d77710c-70
0.236
LON-WEI-5e7d1b3e-70
0.236
AAR-RCN-37d0aa00-1
0.235
MAK-UNK-ed378e62-7
0.232
MAK-UNK-ed378e62-1
0.231
MAK-UNK-7732b35b-18
0.230
MAK-UNK-ed378e62-24
0.227
MAK-UNK-ed378e62-23
0.227
MAK-UNK-72659d64-2
0.226
ABI-SAT-aa268ad7-10
0.224
MAK-UNK-ed378e62-25
0.224
MAR-TRE-1c920f6f-53
0.224
MAK-UNK-849bee6c-4
0.224
MAR-TRE-a3327163-15
0.221
MAK-UNK-72659d64-6
0.219
MAK-UNK-ed378e62-16
0.215
MAK-UNK-ed378e62-15
0.212
MAK-UNK-ed378e62-5
0.211
MAR-TRE-6c5ef77a-14
0.210
MAK-UNK-849bee6c-7
0.210
MAK-UNK-ed378e62-11
0.210
MAK-UNK-849bee6c-12
0.209
MAK-UNK-849bee6c-9
0.207
MAR-TRE-0fda4e82-63
0.202
AAR-RCN-8752a6eb-1
0.200
MAK-UNK-7732b35b-21
0.200
MAK-UNK-7732b35b-25
0.200
MAK-UNK-849bee6c-14
0.200
MAR-TRE-6c5ef77a-20
0.198
JOO-IND-b2fae8f6-1
0.197
MAK-UNK-ca11b4f7-4
0.196
MAK-UNK-7732b35b-33
0.191
MAK-UNK-72659d64-4
0.191
MAK-UNK-7732b35b-17
0.190
MAR-TRE-14ce9fd6-29
0.188
MAR-TRE-14ce9fd6-83
0.186
JOH-UNI-c7afdb96-3
0.186
MAR-TRE-6c5ef77a-26
0.185
MAR-TRE-6c5ef77a-40
0.185
MAR-TRE-1c920f6f-34
0.185
MAK-UNK-849bee6c-17
0.185
MAK-UNK-72659d64-1
0.185
JOH-UNI-c7afdb96-5
0.184
MAK-UNK-72659d64-11
0.183
MAR-TRE-14ce9fd6-43
0.183
MAK-UNK-ed378e62-14
0.182
MAR-TRE-0fda4e82-98
0.181
MAR-TRE-0fda4e82-47
0.181
DAR-DIA-842b4336-5
0.181
JOO-IND-b2fae8f6-2
0.181
MAR-TRE-87acfbcc-28
0.181
MAK-UNK-987948f6-14
0.180
MAR-TRE-a3327163-35
0.179
MAK-UNK-ed378e62-13
0.179