Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(Cl)ccc12)C1CN(CC2(O)CC2)C(=O)c2ccc(Cl)cc21 |
MW: | 455.08 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 82.53 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-41558c53-14
0.798
EDJ-MED-41558c53-9
0.770
PET-UNK-c671f938-6
0.742
PET-UNK-c671f938-2
0.742
EDJ-MED-41558c53-11
0.717
LUO-POS-74179f4f-1
0.702
LUO-POS-edefcc0e-1
0.702
EDJ-MED-0186a59b-6
0.702
EDJ-MED-41558c53-7
0.691
PET-UNK-3324058f-6
0.677
PET-UNK-3324058f-2
0.677
EDG-MED-e300b289-1
0.673
EDG-MED-e300b289-2
0.660
EDJ-MED-41558c53-5
0.660
EDG-MED-e300b289-3
0.653
EDJ-MED-41558c53-3
0.636
EDJ-MED-41558c53-10
0.624
EDJ-MED-41558c53-1
0.612
PET-UNK-c671f938-1
0.610
PET-UNK-c671f938-5
0.610
PET-UNK-c671f938-7
0.592
PET-UNK-c671f938-3
0.592
PET-UNK-f860268d-2
0.592
PET-UNK-f860268d-5
0.592
EDJ-MED-41558c53-8
0.589
MAT-POS-c7726e07-1
0.587
MAT-POS-e119ab4f-1
0.587
MAT-POS-c7726e07-2
0.587
EDJ-MED-0186a59b-5
0.587
PET-UNK-c671f938-4
0.585
PET-UNK-c671f938-8
0.585
EDJ-MED-e69ed63d-7
0.585
EDJ-MED-e69ed63d-17
0.583
EDJ-MED-41558c53-12
0.581
MIC-UNK-482af05e-4
0.574
EDJ-MED-0186a59b-7
0.570
EDJ-MED-e69ed63d-11
0.570
MAT-POS-2e8b2191-12
0.570
EDJ-MED-eb111c00-3
0.570
PET-UNK-4d432d33-2
0.570
PET-UNK-4d432d33-6
0.570
EDJ-MED-e69ed63d-13
0.569
EDJ-MED-e69ed63d-8
0.569
EDJ-MED-e69ed63d-6
0.569
EDJ-MED-e69ed63d-15
0.569
MIC-UNK-482af05e-3
0.569
EDJ-MED-eb111c00-4
0.569
EDJ-MED-c99b2211-3
0.568
EDJ-MED-e69ed63d-1
0.565
EDJ-MED-e69ed63d-3
0.565
PET-UNK-4d432d33-1
0.564
PET-UNK-4d432d33-5
0.564
MAT-POS-b4d6b7fc-2
0.564
PET-UNK-3324058f-1
0.564
PET-UNK-3324058f-5
0.564
EDJ-MED-d165ed91-4
0.560
EDJ-MED-c99b2211-4
0.560
EDJ-MED-e69ed63d-12
0.560
MAT-POS-b4d6b7fc-4
0.559
EDJ-MED-e69ed63d-18
0.558
EDJ-MED-e69ed63d-9
0.555
EDJ-MED-e69ed63d-14
0.554
PET-UNK-3324058f-3
0.554
PET-UNK-3324058f-7
0.554
EDJ-MED-e69ed63d-16
0.554
MAT-POS-acfe5bae-2
0.553
MAT-POS-a54ce14d-3
0.553
EDJ-MED-015fb6b4-2
0.553
MAT-POS-a54ce14d-2
0.553
EDJ-MED-eb111c00-2
0.552
EDJ-MED-e69ed63d-2
0.550
EDJ-MED-e69ed63d-5
0.549
EDJ-MED-d165ed91-3
0.549
LUO-POS-868e8996-3
0.547
LUO-POS-868e8996-4
0.547
ALP-POS-b3e0acc5-1
0.547
RAL-THA-a9c31980-1
0.547
EDJ-MED-c99b2211-1
0.546
EDJ-MED-e69ed63d-4
0.545
PET-UNK-3324058f-4
0.543
PET-UNK-3324058f-8
0.543
PET-UNK-c7ac4d9e-1
0.543
RAL-THA-5e0a6f1a-1
0.543
PET-UNK-c7ac4d9e-2
0.543
RAL-THA-a9c31980-8
0.541
EDJ-MED-43f8f7d6-6
0.541
EDJ-MED-41558c53-6
0.540
RAL-THA-a9c31980-6
0.537
RAL-THA-a9c31980-5
0.537
EDJ-MED-e69ed63d-10
0.535
RAL-THA-a9c31980-4
0.533
EDJ-MED-c99b2211-2
0.533
PET-UNK-37251634-9
0.532
PET-UNK-37251634-1
0.532
RAL-THA-a9c31980-3
0.528
JOH-UNI-6b98e24c-1
0.528
EDJ-MED-43f8f7d6-3
0.528
EDJ-MED-43f8f7d6-4
0.528
PET-UNK-37251634-3
0.527
PET-UNK-37251634-4
0.527