Molecular Properties | |
SMILES: | CC(C)CN1CC(C(=O)Nc2cncc3cnccc23)c2cc(Cl)c(Cl)cc21 |
MW: | 414.1 |
Fraction sp3: | 0.29 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 58.12 |
cLogP: | 5.13 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
BEN-DND-34fc7f90-4
0.593
PET-UNK-f4e47ebd-14
0.520
ALP-UNI-8d415491-3
0.516
VLA-UNK-56836b69-4
0.511
BEN-DND-34fc7f90-1
0.511
BEN-DND-34fc7f90-7
0.511
PET-UNK-f4e47ebd-10
0.495
PET-UNK-f4e47ebd-6
0.460
PET-UNK-b78139fa-9
0.454
ALP-POS-ce760d3f-2
0.444
BEN-DND-4f474d93-3
0.444
BEN-DND-4f474d93-1
0.444
PET-UNK-2c6614b6-9
0.440
JUL-TUD-06b2044f-45
0.440
PET-UNK-1e13ef09-5
0.436
BEN-DND-34fc7f90-3
0.427
BEN-DND-34fc7f90-8
0.422
BEN-DND-a02b439d-15
0.422
VLA-UNK-82501c2c-1
0.418
MIC-UNK-54748b58-3
0.409
JUL-TUD-06b2044f-47
0.404
PET-UNK-9b23ef84-3
0.402
BEN-DND-a02b439d-2
0.402
PET-UNK-c671f938-2
0.396
PET-UNK-c671f938-6
0.396
ALP-POS-d054b76b-1
0.390
PET-UNK-4d432d33-6
0.389
PET-UNK-4d432d33-2
0.389
MIC-UNK-8758c41d-2
0.388
MAR-UCB-6ab2ec87-6
0.388
JUL-TUD-06b2044f-51
0.388
BEN-DND-a02b439d-3
0.387
EDJ-MED-1b5395f9-5
0.385
EDJ-MED-1b5395f9-6
0.385
EDJ-MED-1b5395f9-4
0.385
BEN-DND-a02b439d-1
0.385
MAR-UCB-6ab2ec87-7
0.385
EDJ-MED-015fb6b4-3
0.384
MAT-POS-bb423b95-1
0.383
MIC-UNK-482af05e-4
0.382
ALF-EVA-82cf4849-7
0.380
ALF-EVA-b701bd13-2
0.380
MIC-UNK-482af05e-3
0.378
MAT-POS-dd3ad2b5-1
0.377
BEN-DND-f2e727cd-6
0.377
PET-UNK-c671f938-7
0.377
PET-UNK-c671f938-3
0.377
ERI-UCB-b3e6b0c2-3
0.376
ERI-UCB-b3e6b0c2-12
0.376
MAT-POS-f9802937-9
0.375
MAT-POS-78e1d523-5
0.375
MIC-UNK-8758c41d-1
0.375
MAT-POS-78e1d523-6
0.375
EDJ-MED-611d11e7-11
0.375
PET-UNK-c671f938-1
0.375
PET-UNK-c671f938-5
0.375
PET-UNK-f4e47ebd-13
0.375
EDJ-MED-1b5395f9-1
0.375
EDJ-MED-1b5395f9-2
0.375
EDJ-MED-1b5395f9-3
0.375
MAT-POS-f9802937-8
0.375
DAR-DIA-9f765dc6-10
0.375
DAR-DIA-9f765dc6-12
0.375
ALP-UNI-3735e77e-4
0.375
ALP-UNI-8d415491-4
0.375
DAR-DIA-9f765dc6-11
0.375
EDJ-MED-43f8f7d6-3
0.374
RAL-THA-a9c31980-3
0.374
JOH-UNI-6b98e24c-1
0.374
EDJ-MED-41558c53-9
0.374
EDJ-MED-41558c53-11
0.373
BEN-DND-a02b439d-11
0.373
ALF-EVA-b701bd13-4
0.373
DAR-DIA-9f765dc6-8
0.372
DAR-DIA-9f765dc6-9
0.372
DAR-DIA-9f765dc6-7
0.372
RAL-THA-5e0a6f1a-1
0.372
VLA-UNK-56836b69-1
0.371
MIC-UNK-8758c41d-3
0.371
BEN-DND-f06bfa8e-6
0.371
ALP-POS-fe871b40-16
0.371
ALF-EVA-82cf4849-6
0.370
RAL-THA-8416115c-3
0.370
RAL-THA-ee48ba5f-5
0.369
MAT-POS-64942dd0-3
0.369
ALF-EVA-82cf4849-9
0.369
MIC-UNK-91acba05-2
0.368
EDJ-MED-eb111c00-1
0.368
ALF-EVA-b701bd13-5
0.368
PET-UNK-f860268d-2
0.367
PET-UNK-f860268d-5
0.367
MAT-POS-acfe5bae-2
0.366
EDJ-MED-015fb6b4-2
0.366
MAT-POS-a54ce14d-2
0.366
LUO-POS-74179f4f-1
0.366
MAT-POS-a54ce14d-3
0.366
EDJ-MED-0186a59b-6
0.366
LUO-POS-edefcc0e-1
0.366
EDJ-MED-eb111c00-4
0.366
EDJ-MED-76744c27-5
0.365