Molecular Properties | |
SMILES: | Cc1nc(CN2CC(C(=O)Nc3cncc4cc(Cl)ccc34)c3cc(Cl)ccc3C2=O)c[nH]1 |
MW: | 479.09 |
Fraction sp3: | 0.17 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 90.98 |
cLogP: | 4.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-41558c53-6
0.818
EDJ-MED-41558c53-11
0.708
PET-UNK-3324058f-6
0.703
PET-UNK-3324058f-2
0.703
EDJ-MED-41558c53-9
0.702
PET-UNK-c671f938-2
0.695
PET-UNK-c671f938-6
0.695
LUO-POS-74179f4f-1
0.677
LUO-POS-edefcc0e-1
0.677
EDJ-MED-0186a59b-6
0.677
EDJ-MED-41558c53-7
0.667
EDJ-MED-41558c53-13
0.660
EDG-MED-e300b289-2
0.654
EDG-MED-e300b289-1
0.635
EDG-MED-e300b289-3
0.632
PET-UNK-37251634-1
0.602
PET-UNK-37251634-9
0.602
PET-UNK-3324058f-7
0.593
PET-UNK-3324058f-3
0.593
EDJ-MED-41558c53-1
0.592
PET-UNK-3324058f-5
0.589
PET-UNK-3324058f-1
0.589
EDJ-MED-41558c53-10
0.589
PET-UNK-37251634-8
0.587
PET-UNK-37251634-16
0.587
PET-UNK-3324058f-8
0.581
PET-UNK-3324058f-4
0.581
EDJ-MED-41558c53-12
0.578
PET-UNK-37251634-5
0.577
PET-UNK-37251634-13
0.577
PET-UNK-c671f938-1
0.575
PET-UNK-c671f938-5
0.575
PET-UNK-c671f938-3
0.574
PET-UNK-c671f938-7
0.574
EDJ-MED-41558c53-8
0.571
EDJ-MED-41558c53-3
0.570
MAT-POS-c7726e07-1
0.569
MAT-POS-c7726e07-2
0.569
EDJ-MED-0186a59b-5
0.569
MAT-POS-e119ab4f-1
0.569
PET-UNK-c671f938-4
0.568
PET-UNK-c671f938-8
0.568
PET-UNK-37251634-2
0.568
PET-UNK-37251634-10
0.568
EDJ-MED-e69ed63d-7
0.568
EDJ-MED-cc48ee33-6
0.562
PET-UNK-37251634-11
0.554
EDJ-MED-0186a59b-7
0.554
MAT-POS-2e8b2191-12
0.554
PET-UNK-37251634-3
0.554
PET-UNK-37251634-6
0.554
PET-UNK-37251634-14
0.554
EDJ-MED-e69ed63d-11
0.554
EDJ-MED-e69ed63d-6
0.553
EDJ-MED-e69ed63d-13
0.553
EDJ-MED-e69ed63d-17
0.553
EDJ-MED-e69ed63d-8
0.553
PET-UNK-d62a9a75-3
0.549
EDJ-MED-e69ed63d-1
0.549
PET-UNK-d62a9a75-2
0.549
EDJ-MED-41558c53-14
0.549
PET-UNK-d62a9a75-4
0.549
PET-UNK-d62a9a75-1
0.549
MAT-POS-b4d6b7fc-2
0.548
EDJ-MED-e69ed63d-5
0.547
EDJ-MED-d165ed91-3
0.547
EDJ-MED-d165ed91-4
0.544
EDJ-MED-e69ed63d-12
0.544
EDJ-MED-c99b2211-4
0.544
PET-UNK-f860268d-2
0.543
PET-UNK-f860268d-5
0.543
EDJ-MED-e69ed63d-18
0.542
PET-UNK-c7ac4d9e-2
0.541
PET-UNK-c7ac4d9e-1
0.541
PET-UNK-37251634-15
0.540
PET-UNK-37251634-7
0.540
PET-UNK-37251634-4
0.540
PET-UNK-37251634-12
0.540
EDJ-MED-e69ed63d-15
0.539
EDJ-MED-e69ed63d-14
0.538
EDJ-MED-e69ed63d-16
0.538
PET-UNK-4d432d33-6
0.538
EDJ-MED-eb111c00-3
0.538
PET-UNK-4d432d33-2
0.538
EDJ-MED-eb111c00-4
0.537
MIC-UNK-482af05e-3
0.537
MAT-POS-acfe5bae-2
0.537
MAT-POS-a54ce14d-3
0.537
EDJ-MED-015fb6b4-2
0.537
MAT-POS-a54ce14d-2
0.537
EDJ-MED-eb111c00-2
0.536
EDJ-MED-e69ed63d-3
0.535
EDJ-MED-e69ed63d-2
0.534
PET-UNK-4d432d33-1
0.533
PET-UNK-4d432d33-5
0.533
RAL-THA-a9c31980-1
0.532
LUO-POS-868e8996-3
0.532
ALP-POS-b3e0acc5-1
0.532
LUO-POS-868e8996-4
0.532
EDJ-MED-e69ed63d-4
0.530