Molecular Properties | |
SMILES: | N#Cc1nccc(-c2ccncn2)n1 |
MW: | 183.05 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 75.35 |
cLogP: | 0.81 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-14
0.426
MAK-UNK-ed378e62-16
0.418
MAK-UNK-ed378e62-12
0.418
MAK-UNK-ed378e62-13
0.418
MAK-UNK-ed378e62-17
0.415
MAK-UNK-ed378e62-18
0.415
MAK-UNK-ed378e62-15
0.411
AAR-RCN-37d0aa00-1
0.378
JOO-IND-b2fae8f6-1
0.377
MAK-UNK-ed378e62-3
0.370
MAK-UNK-ed378e62-1
0.370
MAK-UNK-ed378e62-9
0.340
MAK-UNK-ed378e62-7
0.333
MAK-UNK-ed378e62-5
0.333
AAR-POS-f650c5f2-3
0.310
MAK-UNK-72659d64-5
0.295
MAK-UNK-72659d64-1
0.288
MAK-UNK-849bee6c-6
0.284
MAK-UNK-ed378e62-19
0.270
MAK-UNK-ed378e62-24
0.270
MAK-UNK-ed378e62-20
0.270
MAK-UNK-ed378e62-23
0.270
MAK-UNK-72659d64-4
0.270
MAK-UNK-ed378e62-21
0.270
MAK-UNK-ed378e62-22
0.266
MAK-UNK-ed378e62-25
0.266
MAK-UNK-72659d64-8
0.262
MAK-UNK-ed378e62-38
0.245
JOO-IND-b2fae8f6-2
0.235
AAR-RCN-934be69e-1
0.229
AAR-RCN-98de6bc7-1
0.229
AAR-RCN-ec065b93-1
0.229
MAK-UNK-ed378e62-43
0.224
MAK-UNK-ed378e62-8
0.216
MAK-UNK-849bee6c-13
0.213
MAK-UNK-849bee6c-2
0.213
MAR-TRE-a3327163-73
0.212
MAK-UNK-ed378e62-40
0.211
MAK-UNK-ed378e62-41
0.211
MAK-UNK-ed378e62-32
0.210
MAK-UNK-ed378e62-42
0.207
MAK-UNK-ed378e62-26
0.207
MAK-UNK-ed378e62-27
0.207
MAK-UNK-ed378e62-39
0.207
AAR-RCN-8752a6eb-1
0.204
MAK-UNK-ed378e62-2
0.204
MAK-UNK-ed378e62-4
0.204
MAK-UNK-72659d64-13
0.203
MAR-TRE-a3327163-31
0.203
MED-UNK-28939ac5-5
0.203
MAK-UNK-849bee6c-8
0.202
MAK-UNK-849bee6c-3
0.200
MAK-UNK-849bee6c-17
0.200
MAK-UNK-ca11b4f7-4
0.200
MAK-UNK-849bee6c-15
0.198
MAR-TRE-0fda4e82-32
0.194
MAK-UNK-ed378e62-34
0.194
MAK-UNK-ed378e62-6
0.192
AAR-RCN-9c8a34f0-1
0.192
MAK-UNK-ed378e62-10
0.192
AAR-RCN-748c104b-1
0.192
MAK-UNK-ed378e62-37
0.190
MAR-TRE-0fda4e82-44
0.190
AAR-POS-d2a4d1df-5
0.190
MAK-UNK-30aad1f1-7
0.188
MAR-TRE-c317dd82-28
0.187
MAR-TRE-6c5ef77a-36
0.185
MAR-TRE-a3327163-26
0.185
MAK-UNK-ed378e62-36
0.185
MAR-TRE-1c920f6f-99
0.185
MAR-TRE-a3327163-67
0.184
AAR-POS-f650c5f2-2
0.184
AAR-RCN-67438d21-1
0.183
MAR-TRE-fd17a9b8-23
0.183
MAR-TRE-dab8f6ea-14
0.181
MAR-TRE-1c920f6f-78
0.181
MAR-TRE-6c5ef77a-70
0.178
MAR-TRE-14ce9fd6-84
0.178
MAK-UNK-ed378e62-33
0.177
MAK-UNK-72659d64-9
0.176
LON-WEI-4d77710c-71
0.175
LON-WEI-5e7d1b3e-71
0.175
MAK-UNK-ed378e62-35
0.175
MAR-TRE-6c5ef77a-95
0.175
MAK-UNK-ed378e62-29
0.175
MAK-UNK-ed378e62-31
0.175
MAR-TRE-1c920f6f-63
0.174
SAD-SAT-89668ff1-5
0.173
JAN-UNI-2e92c4b1-4
0.173
MAR-TRE-a9136c7b-43
0.173
MAR-TRE-0fda4e82-77
0.173
MAR-TRE-a3327163-17
0.173
EDJ-MED-305b0cb7-1
0.172
FAB-UNK-7ad5ab26-2
0.172
MAK-UNK-ed378e62-30
0.172
MAK-UNK-72659d64-2
0.172
MAK-UNK-ed378e62-28
0.172
MAR-TRE-1c920f6f-27
0.171
TRY-UNI-1fd04853-2
0.171
ABI-SAT-aa268ad7-7
0.169