Molecular Properties | |
SMILES: | Cc1cc(-c2ccc(CN3CCN(C(=O)COC(F)(F)F)CC3)cc2F)ncn1 |
MW: | 412.387 |
Fraction sp3: | 0.42 |
HBA: | 5 |
HBD: | 0 |
Rotatable Bonds: | 5 |
TPSA: | 58.56 |
cLogP: | 2.77172 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✔️ |
high halogen content (>3)
BEN-VAN-c986b20b-8
0.733
BEN-VAN-c986b20b-2
0.726
BEN-VAN-c986b20b-3
0.518
BEN-VAN-c986b20b-4
0.518
BEN-VAN-c986b20b-1
0.512
BEN-VAN-c986b20b-16
0.465
BEN-VAN-c986b20b-9
0.446
BEN-VAN-c986b20b-17
0.432
BEN-VAN-c986b20b-15
0.427
BEN-VAN-c986b20b-13
0.419
BEN-VAN-c986b20b-6
0.415
SAD-SAT-5b1897b2-5
0.388
BEN-VAN-c986b20b-5
0.372
BEN-VAN-c986b20b-7
0.357
AAR-POS-d2a4d1df-24
0.329
DRR-IMP-38dce17f-2
0.326
BEN-VAN-c986b20b-11
0.320
BEN-VAN-c986b20b-14
0.320
BEN-VAN-c986b20b-10
0.312
VIT-UNK-2a0afa28-3
0.312
JUL-TUD-06b2044f-85
0.305
MAK-UNK-849bee6c-15
0.296
MAK-UNK-849bee6c-14
0.294
MAK-UNK-849bee6c-9
0.290
MAK-UNK-7c9d1431-29
0.289
MAK-UNK-849bee6c-16
0.288
JOH-UNI-0e1753c1-3
0.287
AAR-POS-d2a4d1df-35
0.287
MED-COV-4280ac29-15
0.287
HYO-UNK-49a60884-1
0.287
MAK-UNK-849bee6c-17
0.287
JOK-SYG-18591e8f-1
0.286
MAK-UNK-849bee6c-6
0.286
MAK-UNK-849bee6c-5
0.286
MAK-UNK-7c9d1431-18
0.284
SAD-SAT-581007d4-2
0.284
JOH-UNI-0e1753c1-1
0.283
MAK-UNK-7c9d1431-14
0.283
MAT-POS-ee51dedd-1
0.283
MAR-TRE-6a44bbf2-54
0.283
MAK-UNK-7c9d1431-16
0.283
MAK-UNK-e4a48a85-19
0.282
AHN-SAT-02ef6d10-10
0.281
VIT-UNK-cff011c0-2
0.280
MAK-UNK-849bee6c-7
0.280
MAK-UNK-69e28b36-1
0.279
MAK-UNK-176ca439-6
0.279
MAK-UNK-af83ef51-10
0.278
MAK-UNK-af83ef51-14
0.278
TAM-UNI-d1c3dd9f-5
0.277
VIT-UNK-2a0afa28-1
0.276
MAK-UNK-849bee6c-12
0.276
DRR-IMP-38dce17f-7
0.276
MAK-UNK-6ca90168-14
0.276
MAK-UNK-849bee6c-2
0.275
MAK-UNK-849bee6c-13
0.275
MAK-UNK-7c9d1431-21
0.275
JAN-GHE-1d98ec1c-8
0.274
MAK-UNK-acefcb18-20
0.274
MAK-UNK-849bee6c-1
0.273
TAM-UNI-d1c3dd9f-19
0.271
DRR-IMP-38dce17f-6
0.271
JIA-UNI-93b03cae-1
0.270
SAD-SAT-581007d4-1
0.270
MAK-UNK-af83ef51-20
0.268
MAK-UNK-212f693e-7
0.267
SAD-SAT-5b1897b2-2
0.267
PAT-UNK-b2d83456-1
0.267
SEL-UNI-cd366922-8
0.266
MAK-UNK-849bee6c-8
0.266
MAK-UNK-849bee6c-18
0.266
SAD-SAT-581007d4-4
0.266
JAN-GHE-1d98ec1c-3
0.265
MED-COV-4280ac29-37
0.265
DAV-CRI-d1e0885a-2
0.265
MAK-UNK-176ca439-3
0.265
MAK-UNK-cd94b63c-1
0.265
TAM-UNI-d1c3dd9f-6
0.265
MAK-UNK-849bee6c-4
0.264
MAK-UNK-849bee6c-3
0.264
MAK-UNK-e4a48a85-18
0.264
SEL-UNI-cd366922-7
0.263
MAK-UNK-7c9d1431-24
0.262
DRR-IMP-38dce17f-3
0.262
DRR-IMP-38dce17f-5
0.261
MAK-UNK-10dfa458-45
0.261
MAK-UNK-af83ef51-27
0.261
AHN-SAT-de2502ba-15
0.261
JON-UIO-066ce08b-10
0.260
NIM-UNI-310206f0-12
0.260
MAK-UNK-3c359d2a-1
0.259
MAK-UNK-176ca439-4
0.259
DRR-IMP-38dce17f-4
0.258
DAV-CRI-d1e0885a-3
0.257
VIT-UNK-cff011c0-1
0.257
PAU-UNI-8cdd41c7-1
0.256
MAK-UNK-7c9d1431-20
0.256
PAT-UNK-b2d83456-3
0.255
SAD-SAT-65574d3f-10
0.255
NIM-UNI-310206f0-32
0.255