Molecular Properties | |
SMILES: | N#Cc1ncc(Sc2ccsc2)[nH]1 |
MW: | 206.99 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 52.47 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-7732b35b-28
0.500
MAK-UNK-ed378e62-33
0.462
MAK-UNK-7732b35b-18
0.426
MAK-UNK-7732b35b-25
0.404
MAK-UNK-7732b35b-21
0.379
MAK-UNK-7732b35b-33
0.361
MAK-UNK-7732b35b-24
0.317
MAK-UNK-7732b35b-1
0.312
MAK-UNK-7732b35b-14
0.310
MAK-UNK-7732b35b-20
0.286
MAK-UNK-ed378e62-35
0.283
MAK-UNK-ed378e62-29
0.283
MAK-UNK-7732b35b-32
0.281
MAK-UNK-ed378e62-27
0.281
MAK-UNK-ed378e62-31
0.262
MAK-UNK-7732b35b-17
0.262
MAK-UNK-7732b35b-13
0.259
MAK-UNK-ed378e62-37
0.258
MAK-UNK-7732b35b-11
0.250
MAK-UNK-7732b35b-12
0.242
MAK-UNK-ed378e62-32
0.238
MAK-UNK-ed378e62-18
0.238
MAK-UNK-ed378e62-24
0.221
MAK-UNK-ed378e62-23
0.221
MAK-UNK-ed378e62-41
0.220
AAR-POS-f650c5f2-2
0.220
MAK-UNK-7732b35b-7
0.218
MAK-UNK-ed378e62-25
0.217
MAK-UNK-5e88aa6a-15
0.217
ABI-SAT-aa268ad7-10
0.216
WAR-XCH-b72a1bbc-37
0.205
MAK-UNK-ed378e62-8
0.204
MAK-UNK-5e88aa6a-13
0.203
MAK-UNK-5e88aa6a-14
0.200
MAK-UNK-ed378e62-30
0.200
MAK-UNK-ed378e62-28
0.200
MAK-UNK-ed378e62-26
0.197
MAK-UNK-7732b35b-5
0.196
AAR-RCN-934be69e-1
0.192
MAK-UNK-ed378e62-2
0.192
MAK-UNK-ed378e62-4
0.192
ABI-SAT-f7794817-1
0.191
MAT-POS-b5746674-119
0.189
MAT-POS-b5746674-118
0.189
MAK-UNK-7732b35b-3
0.189
MAK-UNK-9955b1f3-10
0.188
MAR-TRE-0fda4e82-32
0.186
MAK-UNK-ed378e62-34
0.185
MAK-UNK-7732b35b-15
0.185
MAR-TRE-0fda4e82-11
0.184
MAK-UNK-6ca90168-22
0.182
MAK-UNK-ed378e62-6
0.182
AAR-RCN-9c8a34f0-1
0.182
ABI-SAT-aa268ad7-7
0.179
MAK-UNK-acefcb18-9
0.179
MAK-UNK-ed378e62-39
0.177
MAK-UNK-ed378e62-36
0.176
MAK-UNK-7732b35b-9
0.175
DAR-DIA-842b4336-19
0.174
MAR-TRE-0fda4e82-1
0.174
MAK-UNK-bdda130a-7
0.174
MAK-UNK-9955b1f3-12
0.173
MIH-UNI-6b9ca91a-7
0.173
MAR-TRE-a3327163-9
0.172
MAR-TRE-0fda4e82-34
0.171
MAR-TRE-a3327163-76
0.170
AAR-RCN-98de6bc7-1
0.170
AAR-RCN-ec065b93-1
0.170
MAK-UNK-ed378e62-38
0.169
ABI-SAT-aa268ad7-8
0.169
MAR-TRE-87acfbcc-71
0.169
MAK-UNK-ed378e62-19
0.169
MAK-UNK-10dfa458-20
0.169
STE-UNK-dfade101-1
0.169
MAK-UNK-72659d64-4
0.169
MAR-TRE-6c5ef77a-22
0.169
MAK-UNK-10dfa458-46
0.167
MAK-UNK-ca11b4f7-4
0.167
MAR-TRE-3159af1a-83
0.167
LON-WEI-5e7d1b3e-70
0.167
MAK-UNK-9955b1f3-17
0.167
JOH-UNI-522b0723-4
0.167
MAR-TRE-6c5ef77a-95
0.167
MAR-TRE-14ce9fd6-85
0.167
LON-WEI-4d77710c-70
0.167
MAK-UNK-212f693e-5
0.164
MAR-TRE-14ce9fd6-29
0.164
MAK-UNK-ed378e62-17
0.164
MAK-UNK-acefcb18-10
0.164
MAK-UNK-ed378e62-7
0.164
MAR-TRE-6c5ef77a-52
0.164
MAK-UNK-bdda130a-6
0.163
MAR-TRE-a3327163-46
0.163
MAR-TRE-a3327163-33
0.163
MAR-TRE-a3327163-67
0.163
MAR-TRE-87acfbcc-66
0.162
MAR-TRE-6c5ef77a-81
0.162
AAR-POS-d2a4d1df-5
0.161
MAK-UNK-ed378e62-40
0.161
AAR-RCN-37d0aa00-1
0.161