Molecular Properties | |
SMILES: | N#Cc1ncc(-c2ccsc2)[nH]1 |
MW: | 175.02 |
Fraction sp3: | 0.0 |
HBA: | 3 |
HBD: | 1 |
Rotatable Bonds: | 1 |
TPSA: | 52.47 |
cLogP: | 2.01 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-7732b35b-14
0.431
MAK-UNK-7732b35b-29
0.426
MAK-UNK-7732b35b-25
0.400
MAK-UNK-ed378e62-27
0.400
MAK-UNK-7732b35b-13
0.400
MAK-UNK-7732b35b-21
0.400
MAK-UNK-7732b35b-33
0.379
MAK-UNK-7732b35b-28
0.368
MAK-UNK-ed378e62-18
0.339
MAK-UNK-7732b35b-1
0.333
MAK-UNK-7732b35b-24
0.310
MAK-UNK-5e88aa6a-13
0.308
MAK-UNK-5e88aa6a-14
0.302
MAK-UNK-7732b35b-20
0.300
MAK-UNK-5e88aa6a-15
0.296
MAK-UNK-7732b35b-32
0.295
MAK-UNK-ed378e62-33
0.281
MAK-UNK-ed378e62-35
0.276
MAK-UNK-7732b35b-12
0.276
MAK-UNK-7732b35b-17
0.276
MAK-UNK-ed378e62-29
0.276
MAK-UNK-ed378e62-31
0.276
MAK-UNK-ed378e62-37
0.271
MAK-UNK-ed378e62-24
0.270
MAK-UNK-7732b35b-11
0.263
WAR-XCH-b72a1bbc-3
0.236
AAR-POS-f650c5f2-2
0.234
ABI-SAT-f7794817-1
0.233
MAK-UNK-ed378e62-23
0.231
MAK-UNK-ed378e62-32
0.230
MAK-UNK-ed378e62-26
0.228
MAK-UNK-ed378e62-25
0.227
MAK-UNK-ed378e62-28
0.210
MAK-UNK-e4a48a85-23
0.209
MAK-UNK-7732b35b-5
0.208
MAK-UNK-7732b35b-7
0.208
ABI-SAT-aa268ad7-10
0.204
MAK-UNK-ed378e62-4
0.204
MAK-UNK-ed378e62-38
0.200
MAK-UNK-7732b35b-3
0.200
MAK-UNK-ed378e62-21
0.194
MAK-UNK-10dfa458-20
0.194
MAK-UNK-ed378e62-34
0.194
MAK-UNK-7732b35b-15
0.194
MAK-UNK-bdda130a-7
0.193
AAR-RCN-9c8a34f0-1
0.192
MAK-UNK-ed378e62-6
0.192
MAT-POS-ea426761-50
0.192
MAK-UNK-ed378e62-30
0.190
MAK-UNK-ed378e62-17
0.190
MAK-UNK-ed378e62-41
0.190
MAK-UNK-6ca90168-22
0.189
MAR-TRE-1c920f6f-92
0.188
MAR-TRE-14ce9fd6-85
0.188
MAK-UNK-7732b35b-9
0.185
MAK-UNK-ed378e62-36
0.185
MAK-UNK-ed378e62-14
0.185
MAK-UNK-987948f6-14
0.184
MAK-UNK-bdda130a-6
0.182
MAK-UNK-e4a48a85-21
0.181
MAT-POS-b5746674-118
0.181
MAT-POS-b5746674-119
0.181
MAK-UNK-ed378e62-2
0.180
AAR-RCN-98de6bc7-1
0.180
AAR-RCN-ec065b93-1
0.180
AAR-RCN-934be69e-1
0.180
MIH-UNI-6b9ca91a-7
0.179
MAR-TRE-a3327163-9
0.179
MAK-UNK-ed378e62-19
0.176
MAK-UNK-ca11b4f7-4
0.176
MAR-TRE-6c5ef77a-95
0.175
MAR-TRE-3159af1a-83
0.175
MAK-UNK-10dfa458-46
0.174
ANN-UNI-26382800-1
0.174
LON-WEI-4d77710c-70
0.173
LON-WEI-5e7d1b3e-70
0.173
MAR-TRE-14ce9fd6-73
0.173
UNK-UNK-2ede4078-84
0.172
GAB-REV-df64cf17-8
0.172
MAK-UNK-acefcb18-13
0.172
DAR-DIA-0cde14eb-69
0.171
MAR-TRE-1c920f6f-62
0.171
WAR-XCH-b6889685-35
0.171
AAR-POS-f650c5f2-3
0.170
MAK-UNK-ed378e62-8
0.170
MAK-UNK-ed378e62-10
0.170
AAR-RCN-37d0aa00-1
0.170
MAK-UNK-ed378e62-40
0.169
AAR-POS-d2a4d1df-5
0.169
MAR-TRE-6c5ef77a-81
0.169
MAR-TRE-a3327163-33
0.169
MAK-UNK-e4a48a85-20
0.169
SHA-THE-408e7524-6
0.169
MAK-UNK-ed378e62-3
0.167
MAK-UNK-ed378e62-39
0.167
MAR-TRE-87acfbcc-28
0.167
DAR-DIA-842b4336-24
0.167
MAK-UNK-ed378e62-1
0.167
MAR-TRE-a3327163-35
0.167
KIM-UNI-60f168f5-2
0.167