Molecular Properties | |
SMILES: | CC(C)(C#N)c1cc(Cn2cncn2)cc(C(C)(C)C#N)c1 |
MW: | 293.16 |
Fraction sp3: | 0.41 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 4 |
TPSA: | 78.29 |
cLogP: | 2.93 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-3029589501 |
too many cyano Groups (>1)
WIL-UNI-d4749f31-40
0.287
MAT-POS-6da3605a-2
0.268
JAG-UCB-cedd89ab-2
0.268
WIL-UNI-5578df48-31
0.267
WIL-UNI-5578df48-19
0.263
MAR-TRE-0fda4e82-71
0.260
AAR-UNI-c25c2f1e-63
0.259
MAR-TRE-a3327163-69
0.257
MAR-TRE-0fda4e82-95
0.250
MAR-TRE-fffca54f-99
0.233
MAR-TRE-8190bb11-82
0.231
JUL-TUD-06b2044f-85
0.225
JUL-TUD-06b2044f-98
0.215
WIL-UNI-5578df48-33
0.209
WIL-UNI-5578df48-39
0.207
WIL-UNI-5578df48-32
0.207
WIL-UNI-5578df48-38
0.200
MAK-UNK-be3f299e-2
0.194
MAR-TRE-14ce9fd6-12
0.190
AAR-UNI-c25c2f1e-102
0.187
MAR-TRE-14ce9fd6-55
0.186
AAR-UNI-c25c2f1e-50
0.184
PET-UNK-48ab5cd7-6
0.183
MAR-TRE-14ce9fd6-18
0.183
REN-UFA-aaaed2d6-4
0.183
MAR-TRE-14ce9fd6-42
0.182
JOO-PER-74f994a9-1
0.181
MAR-TRE-14ce9fd6-91
0.181
MAR-TRE-14ce9fd6-76
0.179
MAR-TRE-1c920f6f-25
0.177
BAR-COM-4e090d3a-35
0.177
MAK-UNK-849bee6c-20
0.176
MAR-TRE-0fda4e82-46
0.176
MAK-UNK-10dfa458-43
0.175
MAK-UNK-849bee6c-1
0.175
JOR-UNI-61e7b1d5-1
0.174
MAR-TRE-66ac689e-89
0.174
MAK-UNK-148caf23-16
0.174
MAK-UNK-148caf23-22
0.174
STE-DES-3b1afdbd-1
0.174
PAT-UNK-b2d83456-1
0.173
MAR-TRE-14ce9fd6-89
0.173
MAK-UNK-148caf23-21
0.173
JUL-TUD-06b2044f-120
0.172
SHA-LIV-041af2c0-3
0.172
MAK-UNK-849bee6c-5
0.172
LON-WEI-adc59df6-82
0.172
MAK-UNK-ed378e62-39
0.172
MAK-UNK-849bee6c-21
0.172
NIR-THE-0d6461ce-6
0.170
MAK-UNK-30aad1f1-3
0.170
ALP-POS-95b75b4d-13
0.170
NJA-MAN-b9fb953f-9
0.170
MAK-UNK-30aad1f1-6
0.170
MAK-UNK-849bee6c-22
0.170
JOR-UNI-61e7b1d5-17
0.170
MAR-TRE-14ce9fd6-96
0.169
MAR-TRE-9c797165-34
0.169
ALP-POS-95b75b4d-9
0.169
WIL-UNI-5578df48-16
0.169
MAK-UNK-148caf23-2
0.168
DAR-DIA-2b784ede-32
0.167
MAK-UNK-849bee6c-18
0.167
PET-SGC-f147f0b6-1
0.167
TAM-UNI-d1c3dd9f-16
0.167
MAR-TRE-14ce9fd6-79
0.167
IAN-BAS-daf5a467-1
0.167
MAR-TRE-1c920f6f-22
0.167
MAK-UNK-148caf23-15
0.165
JOR-UNI-61e7b1d5-4
0.165
MAK-UNK-849bee6c-23
0.165
JOR-UNI-61e7b1d5-15
0.165
AAR-UNI-c25c2f1e-19
0.165
MAK-UNK-849bee6c-2
0.165
MAK-UNK-849bee6c-3
0.165
MAK-UNK-30aad1f1-7
0.165
MAK-UNK-849bee6c-14
0.165
AAR-UNI-c25c2f1e-43
0.165
BRU-LEF-ae0885ba-1
0.165
PAU-UNI-52c0427f-1
0.165
DAR-DIA-fb20be43-4
0.165
MAR-TRE-1c920f6f-67
0.165
MAT-POS-ee51dedd-1
0.165
MAR-TRE-14ce9fd6-19
0.165
MAR-TRE-0fda4e82-35
0.165
DAR-DIA-842b4336-2
0.164
MAR-TRE-0fda4e82-32
0.164
MAR-TRE-14ce9fd6-74
0.164
MAK-UNK-148caf23-23
0.164
MAK-UNK-849bee6c-15
0.163
SAD-SAT-7d5528d9-3
0.163
JAN-GHE-fd8d85a5-4
0.163
MAR-TRE-1c920f6f-17
0.163
MAR-TRE-0fda4e82-17
0.163
MAR-TRE-e82e6c98-89
0.163
MAR-TRE-e82e6c98-19
0.163
MAR-TRE-14ce9fd6-81
0.163
BEN-DND-61647d40-8
0.163
MAR-TRE-14ce9fd6-20
0.163
PET-SGC-9a4d8c0f-1
0.162