Molecular Properties | |
SMILES: | N#Cc1ncc(Oc2cncnc2)cn1 |
MW: | 199.05 |
Fraction sp3: | 0.0 |
HBA: | 6 |
HBD: | 0 |
Rotatable Bonds: | 2 |
TPSA: | 84.58 |
cLogP: | 0.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-31
0.500
AAR-RCN-9c8a34f0-1
0.462
MAK-UNK-ed378e62-6
0.462
MAK-UNK-ed378e62-38
0.452
MAK-UNK-ed378e62-43
0.435
MAK-UNK-ed378e62-30
0.429
MAK-UNK-ed378e62-41
0.422
MAK-UNK-ed378e62-42
0.413
MAK-UNK-ed378e62-39
0.413
MAK-UNK-ed378e62-4
0.385
AAR-RCN-934be69e-1
0.385
MAK-UNK-ed378e62-10
0.357
MAK-UNK-ed378e62-8
0.357
MAK-UNK-ed378e62-2
0.350
AAR-RCN-98de6bc7-1
0.350
AAR-RCN-ec065b93-1
0.350
MAK-UNK-849bee6c-12
0.307
MAK-UNK-72659d64-7
0.283
AAR-POS-f650c5f2-3
0.282
MAK-UNK-ed378e62-29
0.278
MAK-UNK-ed378e62-26
0.275
MAK-UNK-ed378e62-27
0.275
MAK-UNK-ed378e62-32
0.273
MAK-UNK-ed378e62-37
0.273
AAR-RCN-67438d21-1
0.269
MAK-UNK-72659d64-3
0.264
MAK-UNK-ed378e62-36
0.263
MAK-UNK-ed378e62-3
0.261
MAK-UNK-ed378e62-33
0.259
ABI-SAT-aa268ad7-10
0.256
MAK-UNK-ed378e62-34
0.255
MAK-UNK-ed378e62-35
0.255
MAK-UNK-ed378e62-28
0.250
MAK-UNK-72659d64-2
0.250
MAK-UNK-72659d64-6
0.241
MAK-UNK-ed378e62-13
0.237
AAR-POS-d2a4d1df-18
0.237
MAK-UNK-ed378e62-5
0.235
MAR-TRE-85681e92-83
0.229
MAR-TRE-85681e92-75
0.224
MAK-UNK-7732b35b-1
0.222
MAK-UNK-7732b35b-3
0.222
MAK-UNK-7732b35b-21
0.220
MAR-TRE-85681e92-35
0.217
MAK-UNK-ed378e62-9
0.216
JOH-IMS-4b4cc7e6-1
0.214
JOH-IMS-4b4cc7e6-2
0.214
MAK-UNK-ed378e62-15
0.213
AAR-RCN-748c104b-1
0.213
AAR-RCN-37d0aa00-1
0.213
MAK-UNK-ed378e62-11
0.211
MAK-UNK-7732b35b-12
0.211
MAK-UNK-ed378e62-23
0.210
MAK-UNK-ed378e62-1
0.208
MAR-TRE-c317dd82-70
0.205
TRY-UNI-bbd40bb4-1
0.205
AAR-POS-f650c5f2-2
0.205
MAK-UNK-7732b35b-5
0.204
MAK-UNK-7732b35b-9
0.204
MAK-UNK-7732b35b-13
0.204
MAR-TRE-85681e92-92
0.204
MAR-TRE-a9136c7b-43
0.203
MAR-TRE-c317dd82-28
0.200
TRY-UNI-69298daf-4
0.200
MAK-UNK-ed378e62-14
0.200
MAK-UNK-72659d64-11
0.200
AAR-RCN-8752a6eb-1
0.200
LIZ-THE-7023c732-1
0.200
MAR-TRE-85681e92-37
0.197
MAK-UNK-ed378e62-16
0.197
MAK-UNK-ed378e62-12
0.197
MAK-UNK-7732b35b-20
0.197
MAK-UNK-7732b35b-11
0.196
MAK-UNK-ca11b4f7-4
0.196
MAR-TRE-a9136c7b-98
0.194
MAR-TRE-92684b97-21
0.194
MAK-UNK-7732b35b-32
0.194
MAK-UNK-f2409524-37
0.193
MAR-TRE-85681e92-82
0.193
MAK-UNK-72659d64-15
0.191
MAR-TRE-a9136c7b-39
0.191
MAR-TRE-8190bb11-44
0.191
MAR-TRE-be9ff7d2-31
0.191
LIZ-THE-7023c732-2
0.191
MAR-TRE-92684b97-60
0.191
PET-SGC-cb62ec31-1
0.191
MAK-UNK-ed378e62-20
0.190
MAK-UNK-7732b35b-33
0.190
MAK-UNK-72659d64-9
0.190
STE-UNK-dfade101-1
0.190
MAR-TRE-85681e92-89
0.190
MAK-UNK-ed378e62-7
0.189
MAR-TRE-9d18ae8c-87
0.188
MAR-TRE-92684b97-59
0.188
MAR-TRE-85681e92-30
0.188
JOH-IMS-4b4cc7e6-3
0.188
MAK-UNK-ed378e62-18
0.186
MAR-TRE-be9ff7d2-3
0.186
MAR-TRE-e82e6c98-19
0.186
MAR-TRE-8190bb11-60
0.186