Molecular Properties | |
SMILES: | N#Cc1ncc(O)cn1 |
MW: | 121.03 |
Fraction sp3: | 0.0 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 0 |
TPSA: | 69.8 |
cLogP: | 0.05 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-152697 |
Enamine SCR: | Z1255431911 |
Mcule: | MCULE-9771562139 |
MolPort: | MolPort-004-758-044 |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-2
0.467
AAR-RCN-98de6bc7-1
0.467
AAR-RCN-ec065b93-1
0.467
AAR-RCN-934be69e-1
0.467
MAK-UNK-ed378e62-6
0.424
MAK-UNK-ed378e62-8
0.424
MAK-UNK-ed378e62-10
0.424
AAR-RCN-9c8a34f0-1
0.424
MAK-UNK-ed378e62-38
0.417
MAK-UNK-ed378e62-41
0.385
MAK-UNK-ed378e62-40
0.385
AAR-POS-f650c5f2-3
0.379
MAK-UNK-ed378e62-27
0.375
MAK-UNK-ed378e62-42
0.375
MAK-UNK-ed378e62-39
0.375
MAK-UNK-ed378e62-3
0.371
AAR-RCN-67438d21-1
0.366
MAK-UNK-ed378e62-43
0.366
MAK-UNK-72659d64-3
0.357
MAK-UNK-ed378e62-33
0.349
MAK-UNK-72659d64-7
0.349
MAK-UNK-ed378e62-26
0.341
MAK-UNK-ed378e62-35
0.341
MAK-UNK-ed378e62-31
0.341
MAK-UNK-ed378e62-29
0.341
MAK-UNK-ed378e62-37
0.333
MAK-UNK-72659d64-2
0.333
MAK-UNK-72659d64-6
0.319
MAK-UNK-ed378e62-36
0.319
MAK-UNK-ed378e62-34
0.311
MAK-UNK-ed378e62-28
0.304
MAK-UNK-ed378e62-32
0.304
MAK-UNK-ed378e62-30
0.304
ABI-SAT-aa268ad7-10
0.294
AAR-RCN-37d0aa00-1
0.270
MAK-UNK-ed378e62-9
0.268
MAK-UNK-ed378e62-1
0.263
MAK-UNK-72659d64-11
0.259
AAR-RCN-8752a6eb-1
0.257
MAK-UNK-7732b35b-3
0.250
MAK-UNK-7732b35b-1
0.250
MAK-UNK-72659d64-9
0.250
MAK-UNK-72659d64-15
0.246
AAR-RCN-748c104b-1
0.237
MAK-UNK-72659d64-13
0.236
ABI-SAT-95eab675-4
0.233
MAK-UNK-ed378e62-7
0.233
MAK-UNK-ed378e62-5
0.233
AAR-POS-f650c5f2-2
0.229
ABI-SAT-f7794817-1
0.226
MAK-UNK-ed378e62-18
0.224
MAK-UNK-849bee6c-7
0.224
MAK-UNK-849bee6c-9
0.221
MAK-UNK-72659d64-1
0.220
MAK-UNK-72659d64-10
0.217
MAK-UNK-ca11b4f7-4
0.216
MAK-UNK-9955b1f3-5
0.216
MAK-UNK-849bee6c-14
0.211
MAK-UNK-72659d64-14
0.208
MAK-UNK-9955b1f3-10
0.208
MAK-UNK-72659d64-5
0.208
ABI-SAT-95eab675-2
0.206
ABI-SAT-95eab675-1
0.206
MAK-UNK-849bee6c-12
0.205
MAK-UNK-849bee6c-16
0.205
MAK-UNK-849bee6c-4
0.205
MAK-UNK-ed378e62-11
0.204
MAR-TRE-3159af1a-83
0.204
MAK-UNK-7732b35b-18
0.204
MAK-UNK-9955b1f3-17
0.204
MAK-UNK-ed378e62-21
0.204
MAK-UNK-ed378e62-23
0.204
MAK-UNK-ed378e62-24
0.204
MAK-UNK-72659d64-4
0.204
MAK-UNK-ed378e62-22
0.200
MAK-UNK-ed378e62-25
0.200
MAK-UNK-72659d64-12
0.200
MAR-TRE-3724962b-26
0.200
MAK-UNK-4b073b5c-6
0.200
MAK-UNK-ed378e62-17
0.200
AAR-POS-d2a4d1df-5
0.200
MAK-UNK-72659d64-8
0.196
MAR-TRE-85681e92-75
0.196
MAK-UNK-7732b35b-24
0.196
MAK-UNK-7732b35b-13
0.196
MAK-UNK-7732b35b-9
0.195
MAK-UNK-987948f6-14
0.194
MAK-UNK-7732b35b-29
0.192
MAK-UNK-72659d64-16
0.192
MAK-UNK-9955b1f3-9
0.192
MAK-UNK-ed378e62-14
0.192
MAK-UNK-7732b35b-25
0.192
MAK-UNK-4b073b5c-1
0.192
MAK-UNK-7732b35b-21
0.192
MAK-UNK-72659d64-18
0.192
MAK-UNK-ed378e62-12
0.189
MAK-UNK-ed378e62-13
0.189
MAK-UNK-ed378e62-16
0.189
MAK-UNK-7732b35b-11
0.188
MAR-TRE-04c86cea-91
0.188