Molecular Properties | |
SMILES: | N#Cc1nccc(Sc2ccncn2)n1 |
MW: | 215.03 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 75.35 |
cLogP: | 1.29 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-7
0.469
MAK-UNK-ed378e62-11
0.418
MAK-UNK-ed378e62-15
0.407
MAK-UNK-ed378e62-14
0.397
MAK-UNK-ed378e62-12
0.390
MAK-UNK-ed378e62-13
0.390
AAR-RCN-37d0aa00-1
0.375
MAK-UNK-ed378e62-3
0.340
MAK-UNK-ed378e62-1
0.340
MAK-UNK-849bee6c-17
0.318
MAK-UNK-ed378e62-9
0.315
MAK-UNK-ed378e62-5
0.309
MAK-UNK-ed378e62-17
0.295
MAK-UNK-ed378e62-18
0.295
MAK-UNK-ed378e62-23
0.292
AAR-POS-f650c5f2-3
0.283
MAK-UNK-72659d64-5
0.277
MAK-UNK-ed378e62-19
0.273
MAK-UNK-ed378e62-24
0.273
MAK-UNK-72659d64-4
0.273
MAK-UNK-72659d64-1
0.270
MAK-UNK-ed378e62-25
0.269
JOO-IND-b2fae8f6-1
0.257
MAK-UNK-ed378e62-20
0.254
MAK-UNK-ed378e62-21
0.254
MAK-UNK-ed378e62-22
0.250
MAK-UNK-72659d64-8
0.246
MAK-UNK-ed378e62-41
0.237
MAK-UNK-ed378e62-8
0.222
MAK-UNK-849bee6c-13
0.217
MAR-TRE-14ce9fd6-29
0.215
MAK-UNK-ed378e62-32
0.215
MAK-UNK-ed378e62-42
0.213
AAR-RCN-934be69e-1
0.212
AAR-RCN-98de6bc7-1
0.212
MAK-UNK-ed378e62-2
0.212
MAK-UNK-ed378e62-38
0.207
JOO-IND-b2fae8f6-2
0.205
MAK-UNK-ed378e62-33
0.203
MAR-TRE-0fda4e82-62
0.203
MAK-UNK-ed378e62-35
0.200
MAK-UNK-ed378e62-10
0.200
MAK-UNK-ed378e62-40
0.197
MAK-UNK-ed378e62-26
0.194
MAK-UNK-ed378e62-27
0.194
MAK-UNK-ed378e62-39
0.194
MAR-TRE-6c5ef77a-36
0.190
MAK-UNK-ed378e62-43
0.190
AAR-RCN-67438d21-1
0.190
AAR-RCN-8752a6eb-1
0.189
AAR-RCN-ec065b93-1
0.189
MAK-UNK-ed378e62-4
0.189
MAK-UNK-849bee6c-6
0.187
MAR-TRE-14ce9fd6-18
0.185
MAR-TRE-a3327163-43
0.185
MAK-UNK-ca11b4f7-4
0.185
MAR-TRE-14ce9fd6-87
0.184
MAK-UNK-72659d64-9
0.183
MAK-UNK-ed378e62-34
0.182
MAR-TRE-14ce9fd6-3
0.182
MAK-UNK-ed378e62-29
0.182
MAK-UNK-ed378e62-31
0.182
MAK-UNK-849bee6c-8
0.181
MAR-TRE-0fda4e82-77
0.179
MAK-UNK-ed378e62-37
0.179
MAK-UNK-849bee6c-2
0.179
MAK-UNK-849bee6c-3
0.179
MAK-UNK-ed378e62-6
0.179
AAR-RCN-9c8a34f0-1
0.179
AAR-RCN-748c104b-1
0.179
MAR-TRE-c317dd82-28
0.177
MAR-TRE-1c920f6f-31
0.177
MAR-TRE-1c920f6f-39
0.177
MAK-UNK-849bee6c-15
0.177
ABI-SAT-aa268ad7-7
0.176
MAR-TRE-fd17a9b8-23
0.174
MAK-UNK-ed378e62-36
0.174
MAK-UNK-7732b35b-7
0.172
MAT-POS-b5746674-120
0.171
MAR-TRE-14ce9fd6-54
0.171
MAR-TRE-0fda4e82-95
0.171
MAR-TRE-a3327163-93
0.171
AAR-POS-f650c5f2-2
0.170
MAK-UNK-72659d64-3
0.169
MAR-TRE-6c5ef77a-66
0.169
MAR-TRE-0fda4e82-63
0.169
MAR-TRE-0fda4e82-44
0.169
MAR-TRE-0fda4e82-71
0.167
MAR-TRE-a3327163-73
0.167
MAR-TRE-1c920f6f-64
0.167
LON-WEI-5e7d1b3e-71
0.167
MAR-TRE-a3327163-20
0.167
MAR-TRE-6c5ef77a-37
0.167
LON-WEI-4d77710c-71
0.167
GAB-REV-df64cf17-8
0.165
MAR-TRE-6c5ef77a-75
0.165
MED-UNK-28939ac5-5
0.165
MAR-TRE-1c920f6f-75
0.165
MAR-TRE-a3327163-69
0.165
MAR-TRE-1c920f6f-63
0.164