Molecular Properties | |
SMILES: | O=C(Nc1cncc2cnccc12)C1CCN(Cc2c(F)cc(Cl)cc2Cl)C1 |
MW: | 418.08 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 58.12 |
cLogP: | 4.54 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-f4e47ebd-6
0.430
PET-UNK-2c6614b6-9
0.425
PET-UNK-b78139fa-9
0.423
PET-UNK-f4e47ebd-10
0.422
PET-UNK-f4e47ebd-14
0.420
BEN-DND-4f474d93-3
0.415
ALP-POS-ce760d3f-2
0.415
BEN-DND-4f474d93-1
0.415
JUL-TUD-06b2044f-46
0.404
ALP-UNI-8d415491-3
0.396
BEN-DND-34fc7f90-4
0.394
PET-UNK-1e13ef09-5
0.394
VLA-UNK-56836b69-4
0.393
BEN-DND-34fc7f90-1
0.393
BEN-DND-34fc7f90-7
0.393
VLA-UNK-82501c2c-1
0.388
MAT-POS-bb423b95-1
0.384
JUL-TUD-06b2044f-84
0.377
JUL-TUD-06b2044f-51
0.375
PET-UNK-4b4f2bb7-9
0.365
PET-UNK-b78139fa-18
0.357
PET-UNK-f4e47ebd-21
0.350
JUL-TUD-06b2044f-45
0.348
MIC-UNK-482af05e-4
0.347
PET-UNK-b566c0b0-5
0.345
DAR-DIA-9f765dc6-7
0.339
DAR-DIA-9f765dc6-8
0.339
DAR-DIA-9f765dc6-9
0.339
MAR-UCB-6ab2ec87-7
0.336
EDJ-MED-036ae2e9-1
0.336
MIC-UNK-482af05e-2
0.336
PET-UNK-f4e47ebd-28
0.333
PET-UNK-c671f938-5
0.331
PET-UNK-c671f938-1
0.331
RAL-THA-4aa06b95-2
0.331
RAL-THA-4aa06b95-3
0.331
RAL-THA-8416115c-7
0.331
DAR-DIA-0f2f46c9-10
0.330
RAL-THA-05e671eb-17
0.330
DAR-DIA-9f765dc6-3
0.330
DAR-DIA-9f765dc6-4
0.330
DAR-DIA-9f765dc6-1
0.330
RAL-THA-4aa06b95-5
0.328
RAL-THA-4aa06b95-4
0.328
MAT-POS-fb82b63d-4
0.328
EDJ-MED-e9a22d5d-1
0.328
ALP-POS-966f8da6-2
0.328
RAL-THA-c11c1343-1
0.328
RAL-THA-4aa06b95-1
0.328
EDG-MED-5d232de5-3
0.328
EDG-MED-5d232de5-4
0.328
ALP-UNI-ba800595-1
0.327
MAR-UCB-6ab2ec87-6
0.327
DAR-DIA-6a508060-11
0.327
EDJ-MED-e69ed63d-15
0.326
PET-UNK-ff046148-4
0.325
RAL-THA-ee48ba5f-1
0.325
EDJ-MED-fa7708b3-1
0.325
PET-UNK-03fd2068-4
0.325
DAR-DIA-0f2f46c9-3
0.325
DAR-DIA-0f2f46c9-1
0.325
RAL-THA-4aa06b95-6
0.325
RAL-THA-8416115c-3
0.325
DAR-DIA-0f2f46c9-2
0.325
MAT-POS-86c60949-1
0.325
PET-UNK-2c6614b6-5
0.325
EDJ-MED-b7309adf-1
0.325
MAT-POS-e9e99895-13
0.322
PET-UNK-f4e47ebd-24
0.322
MIC-UNK-482af05e-3
0.322
PET-UNK-f860268d-2
0.322
PET-UNK-f860268d-5
0.322
EDG-MED-5d232de5-6
0.322
RAL-THA-8416115c-2
0.322
MIC-UNK-91acba05-6
0.322
EDG-MED-5d232de5-5
0.322
DAR-DIA-0f2f46c9-12
0.322
PET-UNK-b78139fa-5
0.322
EDJ-MED-e69ed63d-3
0.320
MAT-POS-c7726e07-2
0.320
RAL-THA-8416115c-6
0.320
PET-UNK-af70882d-2
0.320
MAT-POS-e119ab4f-1
0.320
EDJ-MED-0186a59b-5
0.320
MAT-POS-c7726e07-1
0.320
RAL-THA-8416115c-1
0.320
MIC-UNK-482af05e-1
0.320
PET-UNK-9b23ef84-3
0.319
EDJ-MED-eb111c00-3
0.319
RAL-THA-8416115c-4
0.319
PET-UNK-03fd2068-1
0.319
PET-UNK-2c6614b6-8
0.319
ALP-POS-d054b76b-1
0.319
ALF-EVA-a24cc7ce-1
0.319
ALP-POS-a577c8a2-3
0.318
PET-UNK-2337ec19-1
0.318
PET-UNK-2337ec19-3
0.318
PET-UNK-c7ac4d9e-2
0.317
PET-UNK-c7ac4d9e-1
0.317
PET-UNK-4d432d33-1
0.317