Molecular Properties | |
SMILES: | N#Cc1nccc(-c2cccs2)n1 |
MW: | 187.02 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 49.57 |
cLogP: | 2.08 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | BBV-106071945 |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-18
0.462
MAK-UNK-ed378e62-26
0.420
MAK-UNK-ed378e62-11
0.415
MAK-UNK-ed378e62-19
0.397
MAK-UNK-ed378e62-21
0.397
MAK-UNK-ed378e62-20
0.397
JOO-IND-b2fae8f6-1
0.393
MAK-UNK-ed378e62-22
0.390
AAR-RCN-37d0aa00-1
0.370
MAK-UNK-ed378e62-1
0.362
MAK-UNK-ed378e62-3
0.362
MAK-UNK-ed378e62-36
0.345
MAK-UNK-ed378e62-9
0.333
MAR-TRE-0fda4e82-63
0.329
MAK-UNK-ed378e62-5
0.327
MAK-UNK-ed378e62-7
0.327
MAK-UNK-7732b35b-14
0.321
MAK-UNK-ed378e62-32
0.310
MAK-UNK-ed378e62-24
0.306
MAK-UNK-ed378e62-23
0.306
AAR-POS-f650c5f2-3
0.302
MAK-UNK-ed378e62-25
0.302
MAK-UNK-ed378e62-16
0.295
MAK-UNK-ed378e62-34
0.293
MAR-TRE-14ce9fd6-83
0.291
MAK-UNK-ed378e62-15
0.290
MAK-UNK-ed378e62-28
0.288
MAK-UNK-ed378e62-30
0.288
MAK-UNK-72659d64-4
0.286
MAK-UNK-72659d64-1
0.283
MAK-UNK-849bee6c-6
0.280
MAK-UNK-ed378e62-14
0.279
MAK-UNK-ed378e62-13
0.274
MAK-UNK-ed378e62-12
0.274
MAK-UNK-7732b35b-15
0.271
MAK-UNK-72659d64-5
0.270
MAK-UNK-72659d64-8
0.258
MAR-TRE-1c920f6f-53
0.257
MAK-UNK-7732b35b-20
0.254
MAK-UNK-ed378e62-37
0.246
MAK-UNK-ed378e62-27
0.246
MAK-UNK-7732b35b-24
0.242
MAK-UNK-7732b35b-28
0.234
MAR-TRE-a3327163-20
0.234
JOO-IND-b2fae8f6-2
0.232
MAK-UNK-7732b35b-32
0.231
LON-WEI-5e7d1b3e-76
0.230
LON-WEI-4d77710c-76
0.230
MAK-UNK-72659d64-9
0.227
AAR-RCN-934be69e-1
0.224
AAR-RCN-98de6bc7-1
0.224
MAR-TRE-a3327163-15
0.221
JOH-MR_-42fa5481-8
0.220
AGN-NEW-9315dc74-6
0.213
AGN-NEW-95323f67-4
0.213
MAK-UNK-ed378e62-33
0.213
MAR-TRE-a3327163-35
0.211
MAK-UNK-ed378e62-29
0.210
MAK-UNK-ed378e62-31
0.210
MAK-UNK-ed378e62-35
0.210
MAR-TRE-a3327163-29
0.205
KEI-TRE-d5e2018a-51
0.205
MAK-UNK-987948f6-14
0.204
AAR-RCN-8752a6eb-1
0.200
MAK-UNK-849bee6c-8
0.200
MAR-TRE-a3327163-31
0.200
MAK-UNK-ed378e62-43
0.200
NAU-LAT-64f4b287-3
0.200
MAR-TRE-1c920f6f-99
0.200
MAR-TRE-6c5ef77a-40
0.200
MAK-UNK-ed378e62-2
0.200
MAK-UNK-ed378e62-4
0.200
AAR-RCN-ec065b93-1
0.200
MAK-UNK-849bee6c-3
0.198
MAK-UNK-849bee6c-13
0.198
MAK-UNK-849bee6c-17
0.198
MAK-UNK-ed378e62-38
0.196
MAK-UNK-ca11b4f7-4
0.196
MAK-UNK-849bee6c-15
0.196
MAR-TRE-6c5ef77a-14
0.195
MAR-TRE-0fda4e82-98
0.195
MAK-UNK-72659d64-7
0.194
MAR-TRE-6c5ef77a-33
0.193
MAR-TRE-a3327163-61
0.192
NIM-UNI-13494739-9
0.192
MAR-TRE-a3327163-73
0.191
MAK-UNK-7732b35b-18
0.190
MAK-UNK-7732b35b-17
0.190
ABI-SAT-ddc50085-4
0.190
MAR-TRE-14ce9fd6-3
0.189
MAK-UNK-ed378e62-10
0.189
MAK-UNK-ed378e62-6
0.189
AAR-RCN-9c8a34f0-1
0.189
AAR-RCN-748c104b-1
0.189
MAK-UNK-ed378e62-8
0.189
MAR-TRE-1c920f6f-63
0.188
MAR-TRE-1c920f6f-52
0.188
LON-WEI-4d77710c-25
0.188
MAT-POS-ea426761-45
0.188
LON-WEI-5e7d1b3e-25
0.188