Molecular Properties | |
SMILES: | CC(C)(CNC(=O)NCc1ccccc1-n1ccnc1)c1ccccc1 |
MW: | 348.2 |
Fraction sp3: | 0.24 |
HBA: | 3 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 58.95 |
cLogP: | 3.65 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
AAR-UNI-c25c2f1e-80
0.649
AAR-UNI-c25c2f1e-84
0.548
AAR-UNI-c25c2f1e-10
0.506
AAR-UNI-c25c2f1e-19
0.467
AAR-UNI-c25c2f1e-72
0.360
AAR-UNI-c25c2f1e-67
0.311
AAR-UNI-c25c2f1e-53
0.306
TAT-ENA-80bfd3e5-3
0.292
AAR-UNI-c25c2f1e-36
0.292
BEN-DND-93268d01-13
0.278
TAT-ENA-80bfd3e5-8
0.265
AAR-UNI-c25c2f1e-13
0.260
AAR-UNI-c25c2f1e-15
0.257
AAR-UNI-c25c2f1e-101
0.257
MAR-TRE-8190bb11-82
0.255
BAR-COM-4e090d3a-36
0.253
AAR-UNI-c25c2f1e-16
0.250
AAR-UNI-c25c2f1e-7
0.248
AAR-UNI-c25c2f1e-38
0.245
MAR-TRE-8190bb11-81
0.242
AAR-UNI-c25c2f1e-31
0.242
YOI-UNK-a533afbc-4
0.240
YOI-UNK-12211982-4
0.240
MAR-TRE-4f781e27-48
0.240
AAR-UNI-c25c2f1e-71
0.240
TAT-ENA-80bfd3e5-38
0.238
TRI-UNI-97428359-1
0.238
SAD-SAT-29425be4-23
0.238
LON-WEI-adc59df6-40
0.236
MAR-TRE-799db12b-89
0.235
ALP-POS-02c6a514-57
0.234
AAR-UNI-c25c2f1e-100
0.234
ANT-DIA-b7f58f21-4
0.234
AAR-UNI-c25c2f1e-61
0.234
AAR-UNI-c25c2f1e-62
0.234
AAR-UNI-c25c2f1e-25
0.233
AAR-UNI-c25c2f1e-49
0.233
NAU-LAT-64f4b287-9
0.233
MAR-TRE-66ac689e-29
0.232
SAD-SAT-29425be4-20
0.232
ALP-POS-02c6a514-56
0.232
JUL-TUD-06b2044f-101
0.231
AAR-UNI-c25c2f1e-99
0.230
AAR-UNI-c25c2f1e-56
0.230
MAR-TRE-8190bb11-34
0.230
AAR-UNI-c25c2f1e-12
0.229
JAN-GHE-76def03c-2
0.229
BEN-DND-93268d01-7
0.229
MAR-TRE-92684b97-54
0.229
AAR-UNI-c25c2f1e-73
0.229
RUT-UNI-630c5802-6
0.228
THO-SYG-cc9e9a11-2
0.228
ALP-POS-c0c213c9-14
0.227
WES-WAB-2b40d25a-1
0.226
AAR-UNI-c25c2f1e-59
0.226
SAD-SAT-24589cd1-7
0.226
AAR-UNI-c25c2f1e-58
0.225
BAR-COM-4e090d3a-5
0.225
MAR-TRE-8190bb11-40
0.224
AAR-UNI-c25c2f1e-5
0.224
ALP-POS-02c6a514-11
0.224
RUT-UNI-630c5802-7
0.224
AAR-UNI-c25c2f1e-17
0.223
MAR-TRE-74c6519b-60
0.223
ALF-EVA-46063d6e-5
0.222
WIL-UNI-5578df48-37
0.222
SAD-SAT-135344c3-3
0.221
SID-ELM-2583a2cd-14
0.221
AAR-POS-d2a4d1df-12
0.220
JUA-UNI-a9dfaed1-2
0.220
AAR-UNI-c25c2f1e-26
0.219
AAR-UNI-c25c2f1e-104
0.219
MAK-UNK-d1e89583-8
0.219
ALP-UNI-fe744232-1
0.219
AAR-UNI-c25c2f1e-78
0.219
MAR-TRE-be9ff7d2-17
0.219
WIL-UNI-354943b6-1
0.219
PAU-WEI-b9b69149-7
0.218
MAK-UNK-ec98eaf6-26
0.218
SAD-SAT-29425be4-4
0.218
MAR-TRE-4b834d9a-85
0.218
MAR-TRE-9d18ae8c-50
0.218
TAT-ENA-80bfd3e5-40
0.218
MAR-TRE-9d18ae8c-46
0.218
MAR-TRE-d0525fbf-38
0.217
MAR-TRE-6a44bbf2-70
0.217
MAR-TRE-c8530538-8
0.217
MAR-TRE-74c6519b-100
0.217
AAR-UNI-c25c2f1e-33
0.216
THO-SYG-cc9e9a11-6
0.216
MAR-TRE-9d18ae8c-52
0.216
MAR-TRE-66ac689e-47
0.216
MAR-TRE-66ac689e-70
0.215
AAR-UNI-c25c2f1e-51
0.215
SAD-SAT-135344c3-1
0.215
ALP-POS-305f6ec3-46
0.215
AAR-UNI-c25c2f1e-90
0.214
WIL-UNI-2a57d06c-36
0.214
ALE-HEI-f28a35b5-1
0.213
TRY-UNI-714a760b-4
0.213