Molecular Properties | |
SMILES: | N#Cc1ncc(-c2cccs2)[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: | ✔️ |
Source | |
Enamine BB: | BBV-106075793 |
Mcule: | MCULE-5924521570 |
AAR-POS-0daf6b7e-21
MAK-UNK-7732b35b-18
0.431
MAK-UNK-7732b35b-24
0.415
MAK-UNK-7732b35b-28
0.400
MAK-UNK-7732b35b-20
0.400
MAK-UNK-7732b35b-32
0.393
MAK-UNK-ed378e62-26
0.380
MAK-UNK-7732b35b-13
0.380
MAK-UNK-7732b35b-1
0.341
MAK-UNK-ed378e62-17
0.321
MAK-UNK-7732b35b-25
0.310
MAK-UNK-7732b35b-29
0.310
MAK-UNK-7732b35b-21
0.310
MAK-UNK-7732b35b-33
0.295
MAK-UNK-ed378e62-36
0.288
MAK-UNK-ed378e62-34
0.281
MAK-UNK-ed378e62-28
0.276
MAK-UNK-ed378e62-30
0.276
MAK-UNK-ed378e62-32
0.276
MAK-UNK-7732b35b-11
0.268
MAK-UNK-7732b35b-15
0.259
MAK-UNK-7732b35b-12
0.259
MAK-UNK-ed378e62-21
0.254
AAR-POS-f650c5f2-2
0.239
MAK-UNK-7732b35b-5
0.235
MAK-UNK-7732b35b-7
0.235
MAK-UNK-ed378e62-19
0.234
MAK-UNK-ed378e62-20
0.234
MAR-TRE-a3327163-35
0.233
MAK-UNK-ed378e62-22
0.231
MAK-UNK-7732b35b-3
0.229
LON-WEI-4d77710c-70
0.225
LON-WEI-5e7d1b3e-70
0.225
MAR-TRE-0fda4e82-63
0.222
MAR-TRE-87acfbcc-28
0.221
MAR-TRE-14ce9fd6-83
0.220
MAR-TRE-8190bb11-44
0.214
MAR-TRE-6c5ef77a-43
0.212
MAK-UNK-7732b35b-9
0.212
MAK-UNK-ed378e62-27
0.211
ABI-SAT-f7794817-1
0.209
MAK-UNK-10dfa458-26
0.209
ABI-SAT-aa268ad7-10
0.208
AAR-RCN-934be69e-1
0.208
MAR-TRE-a3327163-20
0.208
MAK-UNK-9955b1f3-9
0.206
MAK-UNK-ca11b4f7-4
0.204
MAK-UNK-ed378e62-33
0.200
AAR-POS-f650c5f2-3
0.200
MAR-TRE-a3327163-61
0.197
MAR-TRE-1c920f6f-53
0.197
NIM-UNI-13494739-9
0.197
MAR-TRE-87acfbcc-71
0.197
MAK-UNK-9955b1f3-17
0.197
MAK-UNK-ed378e62-35
0.197
MAK-UNK-ed378e62-29
0.197
MAK-UNK-ed378e62-31
0.197
AAR-RCN-9c8a34f0-1
0.196
AAR-RCN-37d0aa00-1
0.196
MAK-UNK-ed378e62-6
0.196
MAR-TRE-3e4e6814-85
0.195
MAR-TRE-a3327163-15
0.195
JOH-UNI-522b0723-4
0.194
MAK-UNK-ed378e62-37
0.194
MAR-TRE-6c5ef77a-22
0.192
JOH-UNI-522b0723-3
0.191
JOH-UNI-c7afdb96-3
0.191
MAK-UNK-987948f6-14
0.188
MAR-TRE-a3327163-33
0.187
MAR-TRE-0fda4e82-98
0.185
MAR-TRE-a3327163-50
0.184
AAR-RCN-98de6bc7-1
0.184
AAR-RCN-ec065b93-1
0.184
MAK-UNK-ed378e62-2
0.184
MAK-UNK-ed378e62-4
0.184
MAR-TRE-a3327163-56
0.183
MAR-TRE-87acfbcc-52
0.183
JOH-MR_-42fa5481-4
0.182
MAK-UNK-ed378e62-38
0.182
MAR-TRE-a3327163-9
0.181
MAR-TRE-0fda4e82-34
0.181
MAK-UNK-9955b1f3-10
0.180
NIM-UNI-36e12f95-5
0.179
MAK-UNK-ed378e62-24
0.179
MAK-UNK-9955b1f3-8
0.179
MAR-TRE-14ce9fd6-3
0.178
AGN-NEW-95323f67-3
0.178
AGN-NEW-9315dc74-2
0.178
MAK-UNK-7732b35b-17
0.177
MAR-TRE-3159af1a-83
0.177
BEN-DND-03ad4429-5
0.177
RED-RED-10c9212c-12
0.177
JOH-UNI-522b0723-1
0.176
MAK-UNK-10dfa458-21
0.176
ANN-UNI-26382800-1
0.176
MAR-TRE-a9136c7b-43
0.176
MAK-UNK-ed378e62-7
0.175
NAU-LAT-64f4b287-3
0.175
MAR-TRE-6c5ef77a-40
0.175
MAK-UNK-ed378e62-18
0.175
MAR-TRE-14ce9fd6-29
0.175