Molecular Properties | |
SMILES: | N#Cc1nccc(Nc2ccncn2)n1 |
MW: | 198.07 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 87.38 |
cLogP: | 0.88 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-9
0.489
MAK-UNK-ed378e62-21
0.482
MAK-UNK-ed378e62-24
0.482
MAK-UNK-ed378e62-15
0.439
MAK-UNK-ed378e62-11
0.426
MAK-UNK-72659d64-1
0.411
MAK-UNK-ed378e62-16
0.397
MAK-UNK-ed378e62-12
0.397
MAK-UNK-ed378e62-13
0.397
AAR-RCN-37d0aa00-1
0.383
MAK-UNK-ed378e62-3
0.347
MAK-UNK-ed378e62-1
0.347
MAK-UNK-72659d64-5
0.344
MAK-UNK-849bee6c-3
0.337
MAK-UNK-849bee6c-2
0.321
MAK-UNK-ed378e62-7
0.315
MAK-UNK-ed378e62-5
0.315
MAK-UNK-ed378e62-18
0.300
MAK-UNK-72659d64-4
0.297
MAK-UNK-ed378e62-22
0.292
MAK-UNK-ed378e62-25
0.292
AAR-POS-f650c5f2-3
0.289
MAK-UNK-72659d64-8
0.288
MAK-UNK-ed378e62-17
0.279
MAK-UNK-ed378e62-23
0.277
MAK-UNK-ed378e62-20
0.258
MAK-UNK-ed378e62-19
0.258
MAK-UNK-72659d64-10
0.254
JOO-IND-b2fae8f6-1
0.243
AAR-RCN-934be69e-1
0.240
MAK-UNK-ed378e62-42
0.237
AAR-RCN-748c104b-1
0.226
MAK-UNK-72659d64-14
0.226
MAK-UNK-849bee6c-13
0.220
MAK-UNK-849bee6c-15
0.217
MAK-UNK-849bee6c-6
0.216
AAR-RCN-98de6bc7-1
0.216
AAR-RCN-8752a6eb-1
0.216
AAR-RCN-ec065b93-1
0.216
MAK-UNK-ed378e62-43
0.213
MAK-UNK-72659d64-11
0.211
MAK-UNK-ed378e62-38
0.211
MAK-UNK-849bee6c-8
0.209
MAK-UNK-30aad1f1-17
0.208
KEI-TRE-fa9ada3e-18
0.207
MAK-UNK-849bee6c-17
0.207
MAK-UNK-72659d64-17
0.206
MAR-TRE-85681e92-100
0.205
MAK-UNK-ed378e62-8
0.204
MAK-UNK-ed378e62-10
0.204
MAK-UNK-ed378e62-34
0.203
MAK-UNK-ed378e62-35
0.203
MAK-UNK-72659d64-9
0.203
MAK-UNK-72659d64-15
0.203
MAK-UNK-30aad1f1-8
0.200
MAK-UNK-72659d64-12
0.200
MAK-UNK-72659d64-2
0.200
MAK-UNK-ed378e62-40
0.200
MAK-UNK-ed378e62-41
0.200
AAR-POS-d2a4d1df-5
0.200
RAL-THA-9041a04d-2
0.198
MAK-UNK-30aad1f1-15
0.198
MAK-UNK-ed378e62-39
0.197
MAK-UNK-987948f6-14
0.196
MAK-UNK-30aad1f1-12
0.195
MAK-UNK-72659d64-13
0.194
MAK-UNK-72659d64-16
0.194
MAK-UNK-ed378e62-2
0.192
MAK-UNK-ed378e62-4
0.192
JOO-IND-b2fae8f6-2
0.192
MAK-UNK-6ca90168-29
0.191
MAK-UNK-72659d64-3
0.190
MAK-UNK-ca11b4f7-4
0.189
MAK-UNK-30aad1f1-14
0.188
MAK-UNK-72659d64-7
0.188
MAR-TRE-6c5ef77a-70
0.187
MAR-TRE-a3327163-73
0.186
DAR-DIA-2b784ede-1
0.185
MAK-UNK-ed378e62-31
0.185
MAK-UNK-7732b35b-18
0.185
SWA-SYN-59528602-2
0.184
MAR-TRE-0fda4e82-44
0.184
MAK-UNK-ed378e62-6
0.182
MAK-UNK-ed378e62-32
0.182
MAK-UNK-ed378e62-37
0.182
AAR-RCN-9c8a34f0-1
0.182
MAR-TRE-c317dd82-28
0.179
MAK-UNK-7732b35b-24
0.179
SAL-INS-3161d1be-2
0.179
MAK-UNK-30aad1f1-16
0.179
MAR-TRE-6c5ef77a-36
0.179
MAR-TRE-a3327163-26
0.179
TRY-UNI-1fd04853-2
0.179
DAR-DIA-2b784ede-2
0.178
MAK-UNK-ed378e62-26
0.177
MAK-UNK-ed378e62-27
0.177
SAL-INS-3161d1be-3
0.177
MAK-UNK-72659d64-18
0.176
MAK-UNK-6ca90168-28
0.176
MAK-UNK-ed378e62-36
0.176