Molecular Properties | |
SMILES: | N#Cc1ncc(Cc2ccsc2)cn1 |
MW: | 201.04 |
Fraction sp3: | 0.1 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 49.57 |
cLogP: | 2.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-28
0.500
MAK-UNK-ed378e62-39
0.489
MAK-UNK-ed378e62-33
0.431
MAK-UNK-ed378e62-27
0.429
MAK-UNK-ed378e62-31
0.423
MAK-UNK-ed378e62-37
0.415
MAK-UNK-ed378e62-35
0.396
MAK-UNK-ed378e62-4
0.341
MAK-UNK-72659d64-2
0.339
MAK-UNK-ed378e62-26
0.321
MAK-UNK-ed378e62-10
0.319
MAK-UNK-ed378e62-30
0.316
MAK-UNK-ed378e62-32
0.316
AAR-RCN-ec065b93-1
0.311
MAK-UNK-ed378e62-2
0.311
AAR-RCN-98de6bc7-1
0.311
AAR-RCN-934be69e-1
0.311
MAK-UNK-ed378e62-36
0.305
MAK-UNK-72659d64-6
0.305
MAK-UNK-ed378e62-34
0.298
MAK-UNK-ed378e62-18
0.293
AAR-RCN-9c8a34f0-1
0.292
MAK-UNK-ed378e62-8
0.292
MAK-UNK-ed378e62-6
0.292
MAK-UNK-7732b35b-25
0.283
MAK-UNK-7732b35b-29
0.283
MAK-UNK-ed378e62-40
0.278
MAK-UNK-ed378e62-41
0.278
MAK-UNK-7732b35b-18
0.276
MAK-UNK-ed378e62-24
0.270
MAK-UNK-ed378e62-23
0.270
MAK-UNK-10dfa458-20
0.270
MAK-UNK-ed378e62-38
0.269
MAK-UNK-ed378e62-25
0.266
MAK-UNK-72659d64-3
0.263
MAK-UNK-7732b35b-21
0.262
DAR-DIA-842b4336-10
0.262
MAK-UNK-e4a48a85-20
0.260
MAK-UNK-e4a48a85-22
0.259
MAK-UNK-72659d64-7
0.259
MAK-UNK-e4a48a85-21
0.256
MAK-UNK-7732b35b-17
0.254
MAK-UNK-acefcb18-3
0.250
MAK-UNK-ed378e62-42
0.250
AAR-POS-f650c5f2-3
0.250
MAK-UNK-ed378e62-19
0.250
MAK-UNK-7732b35b-33
0.250
AAR-RCN-67438d21-1
0.246
MAK-UNK-ed378e62-43
0.246
MAK-UNK-ed378e62-9
0.241
MAK-UNK-849bee6c-9
0.241
MAK-UNK-a7992eb3-16
0.236
MAK-UNK-ed378e62-3
0.235
MAK-UNK-212f693e-15
0.234
AAR-POS-d2a4d1df-7
0.233
MIH-UNI-6b9ca91a-1
0.232
AHN-SAT-02ef6d10-9
0.231
MAK-UNK-6435e6c2-3
0.230
ABI-SAT-aa268ad7-10
0.229
MAK-UNK-a7992eb3-17
0.229
MAK-UNK-849bee6c-7
0.228
MAK-UNK-849bee6c-16
0.226
MAK-UNK-194150d3-10
0.226
MAK-UNK-212f693e-6
0.226
MAK-UNK-212f693e-16
0.226
MAT-POS-ea426761-50
0.225
MAK-UNK-9955b1f3-5
0.222
MAK-UNK-212f693e-17
0.222
MAK-UNK-72659d64-11
0.221
MAK-UNK-212f693e-7
0.219
AAR-RCN-37d0aa00-1
0.216
AAR-POS-0daf6b7e-13
0.215
LON-WEI-8f408cad-7
0.215
MAK-UNK-212f693e-8
0.215
MAK-UNK-10dfa458-1
0.215
MAK-UNK-5e88aa6a-13
0.214
MAR-TRE-a3327163-90
0.213
MAK-UNK-9955b1f3-17
0.213
MAK-UNK-72659d64-4
0.212
STE-UNK-dfade101-1
0.212
MAK-UNK-ed378e62-21
0.212
MAK-UNK-849bee6c-12
0.212
MAK-UNK-ed378e62-1
0.212
MAK-UNK-acefcb18-8
0.211
MAK-UNK-3f402c2b-22
0.211
MAK-UNK-a7992eb3-15
0.211
MAK-UNK-5e88aa6a-14
0.211
JAR-KUA-41bd5a3d-15
0.211
MAR-TRE-14ce9fd6-29
0.210
MAK-UNK-ed378e62-17
0.210
MAK-UNK-212f693e-34
0.209
MAK-UNK-212f693e-35
0.209
MAK-UNK-ed378e62-22
0.209
MAK-UNK-5e88aa6a-15
0.207
MAK-UNK-7732b35b-24
0.206
MAK-UNK-212f693e-32
0.206
UNK-UNK-2ede4078-44
0.205
MAK-UNK-9955b1f3-9
0.203
MAK-UNK-0955449e-8
0.203
MAT-POS-ea426761-56
0.203