Molecular Properties | |
SMILES: | N#Cc1ncc(Oc2cccs2)[nH]1 |
MW: | 191.02 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 61.7 |
cLogP: | 2.14 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-7732b35b-21
0.500
MAK-UNK-ed378e62-30
0.436
MAK-UNK-7732b35b-14
0.400
MAK-UNK-7732b35b-32
0.383
MAK-UNK-7732b35b-24
0.379
MAK-UNK-ed378e62-20
0.377
MAK-UNK-7732b35b-28
0.367
MAK-UNK-7732b35b-1
0.306
MAK-UNK-7732b35b-18
0.300
MAK-UNK-7732b35b-33
0.292
MAK-UNK-7732b35b-29
0.286
MAK-UNK-7732b35b-25
0.286
MAK-UNK-ed378e62-26
0.276
MAK-UNK-ed378e62-36
0.266
MAK-UNK-ed378e62-34
0.258
MAK-UNK-7732b35b-13
0.254
MAK-UNK-ed378e62-28
0.254
MAK-UNK-ed378e62-32
0.254
MAK-UNK-ed378e62-17
0.254
MAK-UNK-7732b35b-11
0.246
MAK-UNK-7732b35b-15
0.238
MAK-UNK-7732b35b-12
0.238
MAK-UNK-ed378e62-31
0.238
MAK-UNK-7732b35b-5
0.236
MAK-UNK-ed378e62-22
0.232
MAK-UNK-ed378e62-19
0.217
MAK-UNK-ed378e62-21
0.217
AAR-POS-f650c5f2-2
0.216
MAK-UNK-ed378e62-37
0.215
WAR-XCH-b6889685-22
0.215
MAK-UNK-7732b35b-7
0.214
MAR-TRE-a3327163-35
0.203
MAK-UNK-ed378e62-23
0.200
AAR-RCN-9c8a34f0-1
0.200
MAK-UNK-ed378e62-6
0.200
MAR-TRE-a3327163-15
0.198
MAK-UNK-ed378e62-40
0.197
MAR-TRE-0fda4e82-63
0.195
LON-WEI-5e7d1b3e-70
0.195
LON-WEI-4d77710c-70
0.195
MAK-UNK-ed378e62-27
0.194
MAK-UNK-987948f6-14
0.192
LIZ-THE-7023c732-1
0.192
MAR-TRE-2fd8122f-68
0.190
MAK-UNK-ed378e62-43
0.190
MAR-TRE-2fd8122f-69
0.190
MAR-TRE-87acfbcc-28
0.189
AAR-RCN-934be69e-1
0.189
ABI-SAT-aa268ad7-10
0.189
MAR-TRE-0fda4e82-98
0.188
MAR-TRE-87acfbcc-52
0.187
MAR-TRE-1c920f6f-53
0.185
MAK-UNK-7732b35b-3
0.185
MAK-UNK-ca11b4f7-4
0.185
MAR-TRE-3e4e6814-85
0.185
MAK-UNK-ed378e62-33
0.185
LIZ-THE-7023c732-2
0.184
MAR-TRE-8190bb11-44
0.184
NIM-UNI-36e12f95-5
0.183
MAK-UNK-7732b35b-17
0.182
DAR-DIA-842b4336-14
0.182
MAK-UNK-ed378e62-29
0.182
MAK-UNK-ed378e62-35
0.182
MAK-UNK-ed378e62-5
0.180
AAR-POS-f650c5f2-3
0.180
MAR-TRE-14ce9fd6-83
0.180
GAB-REV-df64cf17-16
0.180
IND-SYN-6c8299e8-11
0.179
IND-SYN-64980207-1
0.179
MAR-LAB-ca4662a6-1
0.179
AAR-RCN-748c104b-1
0.179
MAR-TRE-6c5ef77a-40
0.179
JOH-UNI-c7afdb96-3
0.178
MAK-UNK-10dfa458-26
0.178
GAB-REV-df64cf17-8
0.178
DAR-DIA-842b4336-15
0.177
MAR-TRE-6c5ef77a-20
0.176
MAK-UNK-ed378e62-42
0.175
DAR-DIA-842b4336-5
0.173
MAR-TRE-a3327163-50
0.173
MAK-UNK-7732b35b-9
0.172
MAR-TRE-6c5ef77a-43
0.172
NIM-UNI-0ea3b7bf-3
0.172
MAK-UNK-ed378e62-13
0.171
MAK-UNK-9955b1f3-12
0.171
MAR-TRE-a3327163-61
0.171
MAR-TRE-0fda4e82-6
0.171
DAR-DIA-842b4336-20
0.170
GAB-REV-df64cf17-14
0.170
MAR-TRE-0fda4e82-62
0.169
DAR-DIA-842b4336-9
0.169
MAR-TRE-0fda4e82-34
0.169
NAU-LAT-445f63e5-4
0.169
GAB-REV-df64cf17-18
0.169
UNK-CYC-68f84b31-23
0.168
AAR-RCN-ec065b93-1
0.167
MAK-UNK-ed378e62-2
0.167
GAB-REV-df64cf17-17
0.167
AAR-RCN-98de6bc7-1
0.167
JOR-UNI-61e7b1d5-8
0.167