Molecular Properties | |
SMILES: | Cc1cc(-c2ccc(CN3CCN(C(=O)C(F)(F)F)CC3)cc2F)ncn1 |
MW: | 382.361 |
Fraction sp3: | 0.39 |
HBA: | 4 |
HBD: | 0 |
Rotatable Bonds: | 3 |
TPSA: | 49.33 |
cLogP: | 2.79762 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
high halogen content (>3)
Perhalo_ketone
trifluroacetate_amide
BEN-VAN-c986b20b-2
0.791
BEN-VAN-c986b20b-18
0.733
BEN-VAN-c986b20b-9
0.608
BEN-VAN-c986b20b-3
0.558
BEN-VAN-c986b20b-4
0.557
BEN-VAN-c986b20b-1
0.551
BEN-VAN-c986b20b-16
0.500
BEN-VAN-c986b20b-17
0.463
BEN-VAN-c986b20b-15
0.458
BEN-VAN-c986b20b-13
0.448
BEN-VAN-c986b20b-6
0.411
BEN-VAN-c986b20b-5
0.398
BEN-VAN-c986b20b-14
0.355
BEN-VAN-c986b20b-7
0.351
BEN-VAN-c986b20b-10
0.333
SAD-SAT-5b1897b2-5
0.333
BEN-VAN-c986b20b-11
0.313
AAR-POS-d2a4d1df-24
0.305
DRR-IMP-38dce17f-2
0.301
AHN-SAT-02ef6d10-10
0.301
VIT-UNK-cff011c0-2
0.298
MAK-UNK-af83ef51-10
0.297
PAT-UNK-b2d83456-3
0.287
JOH-UNI-0e1753c1-1
0.287
PAT-UNK-b2d83456-1
0.286
JUL-TUD-06b2044f-85
0.283
JAN-GHE-1d98ec1c-3
0.283
VIT-UNK-2a0afa28-3
0.275
MAK-UNK-7c9d1431-14
0.273
SAD-SAT-2ceae68f-8
0.273
MAK-UNK-7c9d1431-16
0.273
MAR-TRE-6a44bbf2-54
0.273
VIT-UNK-cff011c0-1
0.272
ANT-OPE-d972fbad-1
0.272
JOH-UNI-23d9e1b1-1
0.271
MAK-UNK-849bee6c-9
0.268
MAK-UNK-e4a48a85-17
0.268
PAT-UNK-b2d83456-2
0.264
JAN-GHE-1d98ec1c-8
0.264
MAK-UNK-7c9d1431-29
0.263
AAR-POS-d2a4d1df-35
0.262
JOH-UNI-0e1753c1-3
0.262
JOH-UNI-0e1753c1-2
0.262
HYO-UNK-49a60884-1
0.262
MED-COV-4280ac29-15
0.262
JOK-SYG-18591e8f-1
0.261
MAK-UNK-7c9d1431-18
0.261
JAN-GHE-1d98ec1c-1
0.261
MAK-UNK-849bee6c-14
0.260
SAD-SAT-1f400d17-6
0.259
SAD-SAT-581007d4-2
0.259
MAT-POS-ee51dedd-1
0.258
MAK-UNK-849bee6c-7
0.258
MAK-UNK-6ca90168-13
0.256
WIL-LEE-23e8b574-3
0.256
JAN-GHE-1d98ec1c-2
0.256
JAN-GHE-1d98ec1c-4
0.255
VIT-UNK-2a0afa28-1
0.255
MAK-UNK-849bee6c-5
0.252
MAK-UNK-849bee6c-6
0.252
MAK-UNK-849bee6c-15
0.252
MAK-UNK-e4a48a85-19
0.252
MAK-UNK-6ca90168-14
0.250
JUL-TUD-06b2044f-30
0.250
NIM-UNI-310206f0-12
0.250
DRR-IMP-38dce17f-7
0.250
MAK-UNK-7c9d1431-21
0.250
JOO-PER-74f994a9-1
0.250
MAK-UNK-6435e6c2-3
0.250
KIM-UNI-7d12df64-3
0.250
JON-UIO-066ce08b-16
0.247
NIM-UNI-310206f0-6
0.247
MAK-UNK-af83ef51-14
0.245
MAK-UNK-849bee6c-18
0.245
JON-UIO-066ce08b-9
0.244
JIA-UNI-93b03cae-1
0.244
WIL-LEE-23e8b574-2
0.244
SAD-SAT-581007d4-1
0.244
WIL-LEE-23e8b574-4
0.244
DRR-IMP-38dce17f-6
0.244
MAK-UNK-e4a48a85-16
0.244
MAK-UNK-e4a48a85-18
0.243
MAK-UNK-849bee6c-2
0.243
MAK-UNK-849bee6c-17
0.243
MAK-UNK-849bee6c-12
0.243
MAK-UNK-849bee6c-16
0.243
MAK-UNK-849bee6c-4
0.243
JUL-TUD-06b2044f-126
0.242
MAK-UNK-cd94b63c-1
0.242
MAK-UNK-176ca439-3
0.242
TAM-UNI-d1c3dd9f-6
0.242
TAM-UNI-d1c3dd9f-5
0.242
SAD-SAT-581007d4-4
0.242
SAD-SAT-5b1897b2-2
0.241
KIM-UNI-2ee5d8f9-1
0.241
MAK-UNK-212f693e-7
0.241
MAK-UNK-849bee6c-1
0.241
ERI-UCB-a0b0dbcb-13
0.241
MAK-UNK-af83ef51-27
0.241
MIH-UNI-6b9ca91a-9
0.240