Molecular Properties | |
SMILES: | CC(=O)N1CCN(Cc2cc(F)c(-c3cc(C)ncn3)c(F)c2)[C@@H](C)C1 |
MW: | 360.408 |
Fraction sp3: | 0.42 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.33 |
cLogP: | 2.78282 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
BEN-VAN-c986b20b-6
0.483
BEN-VAN-c986b20b-2
0.402
BEN-VAN-c986b20b-7
0.402
BEN-VAN-c986b20b-11
0.375
BEN-VAN-c986b20b-8
0.355
BEN-VAN-c986b20b-3
0.341
BEN-VAN-c986b20b-1
0.337
BEN-VAN-c986b20b-13
0.333
JOH-UNI-27ac80fd-5
0.326
BEN-VAN-c986b20b-18
0.320
BEN-VAN-c986b20b-9
0.316
BEN-VAN-c986b20b-15
0.309
BEN-VAN-c986b20b-4
0.302
ANT-OPE-3756b28b-1
0.300
JOH-UNI-27ac80fd-28
0.289
BEN-VAN-c986b20b-16
0.284
BEN-VAN-c986b20b-17
0.258
BEN-VAN-c986b20b-5
0.250
KIM-UNI-2ee5d8f9-1
0.250
PAT-MCD-fb0933e5-1
0.247
SAD-SAT-c989feaa-1
0.235
MAK-UNK-b1d4dcd7-9
0.234
SAD-SAT-c989feaa-3
0.232
JAN-GHE-fd8d85a5-1
0.232
VIT-UNK-cff011c0-1
0.231
MAT-POS-ea426761-85
0.230
JOH-UNI-27ac80fd-7
0.229
JOH-UNI-27ac80fd-10
0.229
JAN-GHE-fd8d85a5-6
0.228
MED-COV-4280ac29-38
0.224
BEN-VAN-77cef4f8-2
0.221
BEN-VAN-c986b20b-10
0.220
JON-UNI-bb9dc649-4
0.220
MAK-UNK-10799360-27
0.219
JOH-UNI-27ac80fd-8
0.219
BEN-VAN-77cef4f8-7
0.218
JON-UIO-066ce08b-3
0.218
BEN-VAN-d8fd1356-29
0.217
KEI-UNI-85a52787-4
0.217
SAD-SAT-c989feaa-4
0.216
KIM-UNI-7d12df64-4
0.216
BEN-DND-6de5dfa0-24
0.215
BEN-DND-6de5dfa0-26
0.215
JOH-UNI-27ac80fd-35
0.214
SAD-SAT-c989feaa-8
0.214
STU-CHA-0be58c98-1
0.214
BEN-DND-6de5dfa0-18
0.213
JAN-GHE-1d98ec1c-3
0.212
IAN-BAS-d38e7e67-1
0.212
JON-UNI-bb9dc649-13
0.211
JAN-GHE-fd8d85a5-10
0.211
JAN-GHE-fd8d85a5-5
0.210
NIM-UNI-310206f0-23
0.210
JUL-TUD-06b2044f-116
0.209
BEN-VAN-77cef4f8-8
0.208
WIL-LEE-23e8b574-1
0.207
KEI-UNI-85a52787-6
0.207
GIA-UNK-a79af1bc-1
0.207
MAK-UNK-df1a028e-8
0.207
BEN-DND-6de5dfa0-23
0.207
ISA-SCH-8e98219b-2
0.207
JAN-GHE-1d98ec1c-8
0.206
DAN-LON-a5fc619e-1
0.206
NIM-UNI-310206f0-32
0.206
NIM-UNI-310206f0-13
0.206
BEN-DND-6de5dfa0-12
0.206
MAR-TRE-dab8f6ea-48
0.206
KIM-UNI-7d12df64-3
0.204
JON-UIO-066ce08b-4
0.204
VIT-UNK-cff011c0-2
0.204
WAR-XCH-bdd24732-3
0.204
JOH-UNI-0e1753c1-5
0.204
DAN-LON-a5fc619e-3
0.204
VIT-UNK-2a0afa28-1
0.204
MAK-UNK-10799360-28
0.204
NIM-UNI-310206f0-41
0.204
BEN-VAN-77cef4f8-1
0.203
JON-UIO-066ce08b-1
0.202
BEN-DND-6de5dfa0-22
0.202
DAN-LON-a5fc619e-6
0.202
JOH-UNI-0e1753c1-4
0.202
BAR-COM-4e090d3a-4
0.202
WIL-UNI-d4749f31-8
0.202
BEN-DND-362d364a-2
0.202
BEN-VAN-77cef4f8-3
0.202
EDJ-MED-3c65e9ce-1
0.200
EDJ-MED-3c65e9ce-2
0.200
ANT-OPE-e67e7ba0-1
0.200
MAK-UNK-6435e6c2-3
0.200
SAD-SAT-bc31ec01-6
0.200
JAN-GHE-fd8d85a5-3
0.200
MAK-UNK-748f8b7a-13
0.200
BEN-DND-93268d01-8
0.200
CHR-MCD-2f2b3cc8-1
0.200
DAN-LON-a5fc619e-7
0.200
MAK-UNK-b1d4dcd7-6
0.200
BEN-VAN-d8fd1356-24
0.200
SAD-SAT-5b1897b2-5
0.200
BOG-INS-16021dc0-1
0.198
NIM-UNI-310206f0-12
0.198