Molecular Properties | |
SMILES: | COc1ccnc(C#N)n1 |
MW: | 135.04 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 1 |
TPSA: | 58.8 |
cLogP: | 0.36 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
Source | |
Enamine BB: | EN300-138071 |
Mcule: | MCULE-7072508561 |
MolPort: | MolPort-008-427-459 |
AAR-POS-0daf6b7e-21
MAK-UNK-ed378e62-13
0.469
MAK-UNK-ed378e62-1
0.462
MAK-UNK-ed378e62-20
0.451
MAK-UNK-ed378e62-23
0.451
AAR-RCN-748c104b-1
0.436
AAR-RCN-37d0aa00-1
0.436
MAK-UNK-ed378e62-3
0.425
MAK-UNK-ed378e62-9
0.419
MAK-UNK-ed378e62-7
0.409
MAK-UNK-72659d64-5
0.352
MAK-UNK-ed378e62-15
0.352
MAK-UNK-72659d64-1
0.346
MAK-UNK-ed378e62-22
0.339
MAK-UNK-ed378e62-25
0.339
MAK-UNK-ed378e62-6
0.333
MAK-UNK-ed378e62-11
0.333
AAR-RCN-9c8a34f0-1
0.333
MAK-UNK-ed378e62-17
0.327
MAK-UNK-ed378e62-18
0.327
AAR-POS-f650c5f2-3
0.324
MAK-UNK-7732b35b-5
0.318
MAK-UNK-ed378e62-14
0.315
MAK-UNK-72659d64-8
0.310
MAK-UNK-ed378e62-16
0.309
MAK-UNK-ed378e62-12
0.309
JOO-IND-b2fae8f6-1
0.300
MAK-UNK-ed378e62-19
0.298
MAK-UNK-ed378e62-24
0.298
MAK-UNK-72659d64-4
0.298
MAK-UNK-ed378e62-21
0.298
MAK-UNK-849bee6c-13
0.291
AAR-RCN-390aeb1f-1
0.275
MAR-TRE-6c5ef77a-65
0.265
AAR-RCN-98de6bc7-1
0.262
AAR-RCN-8752a6eb-1
0.262
MAK-UNK-ed378e62-2
0.262
MAK-UNK-ed378e62-8
0.244
MAK-UNK-ed378e62-10
0.244
MAR-TRE-6c5ef77a-98
0.240
MAK-UNK-9955b1f3-17
0.236
MAK-UNK-ed378e62-40
0.235
MAR-TRE-a3327163-26
0.233
AAR-RCN-934be69e-1
0.233
AAR-RCN-ec065b93-1
0.233
MAK-UNK-ed378e62-4
0.233
MAK-UNK-ed378e62-37
0.232
MAK-UNK-ed378e62-26
0.231
ABI-SAT-aa268ad7-7
0.228
MAK-UNK-ed378e62-43
0.226
MAK-UNK-849bee6c-15
0.226
MAK-UNK-ed378e62-36
0.224
MAR-TRE-0fda4e82-41
0.222
MAR-TRE-0fda4e82-74
0.222
MAR-TRE-a3327163-100
0.221
ABI-SAT-95eab675-1
0.220
JOO-IND-b2fae8f6-2
0.219
MAK-UNK-9955b1f3-10
0.218
LIZ-THE-6efed59f-3
0.217
MAR-TRE-0fda4e82-62
0.217
MAR-TRE-6c5ef77a-36
0.216
MAR-TRE-6c5ef77a-67
0.216
MAR-TRE-a3327163-70
0.215
MAR-TRE-1c920f6f-78
0.215
ABI-SAT-ddc50085-4
0.214
MAR-TRE-a3327163-95
0.214
MAK-UNK-ed378e62-31
0.214
MAK-UNK-849bee6c-2
0.214
MAR-TRE-6c5ef77a-70
0.212
MAR-TRE-14ce9fd6-77
0.212
MAK-UNK-ed378e62-30
0.211
MAK-UNK-ed378e62-32
0.211
MAK-UNK-849bee6c-6
0.210
AAR-POS-f650c5f2-2
0.209
MAK-UNK-ed378e62-27
0.208
MAR-TRE-1c920f6f-59
0.207
MAR-TRE-a3327163-97
0.205
MAR-TRE-0fda4e82-44
0.205
AAR-RCN-67438d21-1
0.204
MAR-TRE-6c5ef77a-60
0.203
MAK-UNK-9955b1f3-5
0.203
MAR-TRE-a3327163-39
0.203
MAK-UNK-9955b1f3-9
0.203
MAR-TRE-6c5ef77a-25
0.203
MAK-UNK-72659d64-13
0.203
RAJ-NOV-842d5654-3
0.203
MAK-UNK-849bee6c-8
0.202
MAK-UNK-ca11b4f7-4
0.200
MAR-TRE-6a44bbf2-77
0.200
MAR-TRE-4f39ef4a-73
0.200
MAR-TRE-a3327163-63
0.200
MAK-UNK-ed378e62-38
0.200
MAK-UNK-7732b35b-1
0.200
MAR-TRE-0fda4e82-97
0.200
MAK-UNK-849bee6c-3
0.200
MAK-UNK-849bee6c-17
0.200
MAK-UNK-ed378e62-33
0.196
MAK-UNK-72659d64-14
0.196
MAK-UNK-72659d64-7
0.196
AAR-RCN-9f0de475-1
0.196
MAR-TRE-0fda4e82-82
0.194