Molecular Properties | |
SMILES: | N#Cc1nccc(Cc2ccncn2)n1 |
MW: | 197.07 |
Fraction sp3: | 0.1 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 75.35 |
cLogP: | 0.73 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-19
0.474
MAK-UNK-ed378e62-11
0.418
MAK-UNK-ed378e62-15
0.407
MAK-UNK-ed378e62-14
0.397
MAK-UNK-ed378e62-13
0.390
MAK-UNK-ed378e62-16
0.390
MAK-UNK-72659d64-4
0.377
MAK-UNK-72659d64-8
0.365
AAR-RCN-37d0aa00-1
0.347
MAK-UNK-ed378e62-1
0.340
MAK-UNK-ed378e62-3
0.340
MAK-UNK-ed378e62-9
0.340
MAK-UNK-72659d64-5
0.317
MAK-UNK-ed378e62-7
0.309
MAK-UNK-ed378e62-5
0.309
MAK-UNK-72659d64-1
0.290
AAR-POS-f650c5f2-3
0.283
MAK-UNK-ed378e62-17
0.274
MAK-UNK-ed378e62-18
0.274
MAK-UNK-ed378e62-21
0.273
MAK-UNK-ed378e62-22
0.269
MAK-UNK-ed378e62-25
0.269
MAK-UNK-849bee6c-8
0.261
MAK-UNK-ed378e62-24
0.254
MAK-UNK-ed378e62-20
0.254
MAK-UNK-ed378e62-23
0.254
JOO-IND-b2fae8f6-1
0.239
MAK-UNK-ed378e62-39
0.233
MAK-UNK-ed378e62-28
0.215
AAR-RCN-98de6bc7-1
0.212
AAR-RCN-934be69e-1
0.212
BAR-COM-4e090d3a-17
0.209
MAK-UNK-ed378e62-38
0.207
MAK-UNK-849bee6c-13
0.204
MAK-UNK-849bee6c-3
0.204
MAK-UNK-849bee6c-15
0.202
MAK-UNK-ed378e62-29
0.200
MAK-UNK-72659d64-9
0.200
MAK-UNK-ed378e62-8
0.200
MAK-UNK-ed378e62-10
0.200
MAK-UNK-849bee6c-6
0.200
MAK-UNK-72659d64-12
0.197
MAK-UNK-ed378e62-40
0.197
MAK-UNK-ed378e62-41
0.197
MAK-UNK-ed378e62-42
0.194
MAK-UNK-849bee6c-2
0.191
MAK-UNK-849bee6c-17
0.191
MAK-UNK-72659d64-16
0.191
MAK-UNK-ed378e62-43
0.190
JOO-IND-b2fae8f6-2
0.189
AAR-RCN-8752a6eb-1
0.189
AAR-RCN-ec065b93-1
0.189
MAK-UNK-ed378e62-2
0.189
MAK-UNK-ed378e62-4
0.189
MAK-UNK-7732b35b-11
0.188
MAR-TRE-1c920f6f-78
0.187
INS-INS-9c68b1a9-1
0.186
MAK-UNK-ca11b4f7-4
0.185
MAR-TRE-0fda4e82-55
0.185
MAK-UNK-72659d64-17
0.185
MAR-TRE-6c5ef77a-70
0.184
MAR-TRE-a3327163-73
0.183
MAK-UNK-7732b35b-12
0.182
MAR-TRE-0fda4e82-44
0.182
MAK-UNK-ed378e62-34
0.182
MAR-TRE-a3327163-97
0.181
MAR-TRE-0fda4e82-77
0.179
PET-SGC-cb83a00c-1
0.179
MAK-UNK-ed378e62-32
0.179
MAK-UNK-72659d64-2
0.179
MAK-UNK-ed378e62-6
0.179
AAR-RCN-9c8a34f0-1
0.179
AAR-RCN-748c104b-1
0.179
MAK-UNK-516d8086-19
0.178
AAR-POS-d2a4d1df-5
0.177
MAR-TRE-a3327163-31
0.177
MAR-TRE-6c5ef77a-36
0.176
MAR-TRE-a3327163-26
0.176
TRY-UNI-1fd04853-2
0.176
MAK-UNK-72659d64-13
0.176
MAK-UNK-72659d64-11
0.176
MAK-UNK-ed378e62-26
0.175
MAK-UNK-ed378e62-27
0.175
JUL-TUD-06b2044f-91
0.174
MAK-UNK-72659d64-6
0.174
MAK-UNK-72659d64-10
0.172
AAR-RCN-67438d21-1
0.172
MAK-UNK-6ca90168-29
0.171
JOR-UNI-61e7b1d5-2
0.171
WAR-XCH-eb7b662f-1
0.171
DAR-DIA-23aa0b97-5
0.171
ANN-UNI-26382800-4
0.171
MAR-TRE-14ce9fd6-54
0.171
MAR-TRE-a3327163-87
0.171
MAR-TRE-14ce9fd6-18
0.171
ALP-POS-95b75b4d-12
0.170
NEH-REV-107bcf72-2
0.170
AAR-POS-f650c5f2-2
0.170
MAK-UNK-987948f6-14
0.170
MAK-UNK-72659d64-3
0.169