Molecular Properties | |
SMILES: | N#Cc1nccc(Nc2cccs2)n1 |
MW: | 202.03 |
Fraction sp3: | 0.0 |
HBA: | 5 |
HBD: | 1 |
Rotatable Bonds: | 2 |
TPSA: | 61.6 |
cLogP: | 2.15 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-24
0.509
MAK-UNK-ed378e62-14
0.482
MAK-UNK-ed378e62-9
0.460
MAK-UNK-ed378e62-34
0.455
MAK-UNK-7732b35b-24
0.414
MAK-UNK-72659d64-1
0.414
MAK-UNK-ed378e62-17
0.397
AAR-RCN-37d0aa00-1
0.388
MAK-UNK-ed378e62-19
0.387
MAK-UNK-ed378e62-22
0.381
MAK-UNK-ed378e62-20
0.365
MAK-UNK-ed378e62-26
0.333
MAK-UNK-ed378e62-18
0.328
MAK-UNK-ed378e62-1
0.327
MAK-UNK-ed378e62-3
0.327
MAK-UNK-849bee6c-2
0.326
MAK-UNK-849bee6c-3
0.326
MAK-UNK-ed378e62-32
0.306
MAK-UNK-72659d64-4
0.303
MAK-UNK-ed378e62-25
0.299
MAK-UNK-ed378e62-5
0.298
MAK-UNK-ed378e62-7
0.298
AAR-POS-f650c5f2-3
0.298
MAK-UNK-ed378e62-15
0.288
MAK-UNK-72659d64-5
0.288
MAK-UNK-ed378e62-28
0.286
MAK-UNK-ed378e62-30
0.286
MAK-UNK-ed378e62-23
0.284
MAK-UNK-ed378e62-36
0.277
MAK-UNK-72659d64-8
0.275
MAK-UNK-ed378e62-12
0.273
MAK-UNK-ed378e62-11
0.270
JOO-IND-b2fae8f6-1
0.268
MAK-UNK-7732b35b-14
0.254
MAK-UNK-ed378e62-13
0.254
MAK-UNK-ed378e62-16
0.254
AAR-RCN-934be69e-1
0.250
MAK-UNK-ed378e62-35
0.250
MAK-UNK-7732b35b-15
0.250
MAK-UNK-ed378e62-27
0.246
MAR-TRE-a3327163-15
0.237
MAK-UNK-7732b35b-32
0.232
AAR-RCN-98de6bc7-1
0.226
MAK-UNK-72659d64-10
0.222
MAR-TRE-a3327163-20
0.220
MAK-UNK-72659d64-11
0.219
MAR-TRE-0fda4e82-63
0.218
MAK-UNK-7732b35b-20
0.217
MAK-UNK-7732b35b-28
0.217
MAR-TRE-6c5ef77a-40
0.217
MAK-UNK-ed378e62-33
0.215
MAK-UNK-ed378e62-10
0.214
MAK-UNK-ed378e62-31
0.212
MAK-UNK-ed378e62-29
0.212
MAR-TRE-6c5ef77a-14
0.212
MAK-UNK-849bee6c-15
0.211
MAK-UNK-72659d64-15
0.211
DAR-DIA-842b4336-19
0.209
MAK-UNK-ed378e62-37
0.209
MAK-UNK-849bee6c-6
0.209
MAK-UNK-987948f6-14
0.208
MAK-UNK-ed378e62-42
0.206
JOH-UNI-c7afdb96-3
0.205
LON-WEI-5e7d1b3e-70
0.205
LON-WEI-4d77710c-70
0.205
MAK-UNK-ed378e62-2
0.204
MAK-UNK-ed378e62-4
0.204
ABI-SAT-aa268ad7-10
0.204
AAR-RCN-ec065b93-1
0.204
MAK-UNK-7732b35b-25
0.203
JOH-UNI-c7afdb96-5
0.203
MAK-UNK-849bee6c-8
0.202
MAK-UNK-ed378e62-38
0.200
MAK-UNK-849bee6c-17
0.200
MAK-UNK-849bee6c-13
0.200
KEI-TRE-fa9ada3e-18
0.200
MAK-UNK-72659d64-3
0.200
MAR-TRE-87acfbcc-28
0.200
JOO-IND-b2fae8f6-2
0.200
MAR-TRE-6c5ef77a-20
0.200
MAR-TRE-0fda4e82-98
0.198
MAR-TRE-f5c2d31c-45
0.195
MAR-TRE-1c920f6f-47
0.195
MAR-TRE-1c920f6f-53
0.195
MAK-UNK-72659d64-9
0.194
MAK-UNK-7732b35b-18
0.194
MAK-UNK-ed378e62-6
0.193
AAR-RCN-9c8a34f0-1
0.193
AAR-RCN-748c104b-1
0.193
MAK-UNK-ed378e62-8
0.193
MAR-TRE-14ce9fd6-1
0.193
MAK-UNK-72659d64-2
0.191
MAK-UNK-72659d64-12
0.191
MAR-TRE-6c5ef77a-96
0.191
MAR-TRE-1c920f6f-49
0.191
IND-SYN-64980207-1
0.190
MAR-TRE-0fda4e82-77
0.190
WAR-XCH-b6889685-33
0.190
IND-SYN-6c8299e8-11
0.190
MAR-TRE-6c5ef77a-26
0.188