Molecular Properties | |
SMILES: | O=C(Nc1cncc2cc(F)ccc12)[C@@H]1CN(Cc2nnco2)C(=O)c2ccc(Cl)cc21 |
MW: | 451.08 |
Fraction sp3: | 0.14 |
HBA: | 6 |
HBD: | 1 |
Rotatable Bonds: | 4 |
TPSA: | 101.22 |
cLogP: | 3.79 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
PET-UNK-3324058f-1
1.000
PET-UNK-3324058f-2
0.835
PET-UNK-3324058f-6
0.835
PET-UNK-3324058f-3
0.771
PET-UNK-3324058f-7
0.771
PET-UNK-37251634-3
0.765
PET-UNK-37251634-11
0.765
PET-UNK-3324058f-4
0.736
PET-UNK-3324058f-8
0.736
PET-UNK-c671f938-5
0.730
PET-UNK-c671f938-1
0.730
MAT-POS-c7726e07-1
0.686
MAT-POS-c7726e07-2
0.686
MAT-POS-e119ab4f-1
0.686
EDJ-MED-0186a59b-5
0.686
EDJ-MED-e69ed63d-7
0.667
EDJ-MED-e69ed63d-11
0.667
EDJ-MED-e69ed63d-6
0.664
EDJ-MED-e69ed63d-3
0.661
EDJ-MED-e69ed63d-1
0.661
EDJ-MED-e69ed63d-13
0.649
EDJ-MED-e69ed63d-15
0.649
EDJ-MED-e69ed63d-9
0.649
EDJ-MED-e69ed63d-17
0.649
PET-UNK-37251634-14
0.593
PET-UNK-37251634-6
0.593
PET-UNK-c671f938-2
0.590
PET-UNK-c671f938-6
0.590
EDJ-MED-41558c53-5
0.589
EDJ-MED-41558c53-9
0.581
PET-UNK-d62a9a75-2
0.574
PET-UNK-d62a9a75-4
0.574
PET-UNK-37251634-15
0.565
PET-UNK-37251634-4
0.565
PET-UNK-37251634-7
0.565
PET-UNK-37251634-12
0.565
EDJ-MED-0186a59b-6
0.564
EDJ-MED-41558c53-13
0.564
LUO-POS-edefcc0e-1
0.564
LUO-POS-74179f4f-1
0.564
EDJ-MED-41558c53-6
0.563
PET-UNK-37251634-13
0.560
PET-UNK-37251634-5
0.560
EDJ-MED-41558c53-11
0.560
PET-UNK-c671f938-3
0.558
PET-UNK-c671f938-7
0.558
PET-UNK-37251634-1
0.557
PET-UNK-37251634-9
0.557
PET-UNK-f860268d-2
0.556
PET-UNK-f860268d-5
0.556
PET-UNK-37251634-2
0.552
PET-UNK-37251634-10
0.552
PET-UNK-d62a9a75-1
0.547
PET-UNK-d62a9a75-3
0.547
PET-UNK-7279c968-5
0.546
ALP-POS-6f6ae286-1
0.546
EDG-MED-e300b289-1
0.544
EDJ-MED-41558c53-10
0.544
EDG-MED-e300b289-3
0.543
MIC-UNK-482af05e-4
0.541
EDJ-MED-0186a59b-7
0.538
MAT-POS-2e8b2191-12
0.538
PET-UNK-4d432d33-2
0.536
PET-UNK-4d432d33-6
0.536
MAT-POS-c7726e07-3
0.535
MAT-POS-c7726e07-4
0.535
MAT-POS-e119ab4f-2
0.535
EDJ-MED-41558c53-12
0.534
EDG-MED-e300b289-2
0.534
EDJ-MED-cc48ee33-6
0.534
EDJ-MED-41558c53-14
0.534
EDJ-MED-41558c53-7
0.530
PET-UNK-37251634-8
0.530
PET-UNK-37251634-16
0.530
EDJ-MED-c99b2211-4
0.529
EDJ-MED-d165ed91-4
0.529
EDJ-MED-e69ed63d-12
0.529
RAL-THA-5e0a6f1a-1
0.526
PET-UNK-c671f938-8
0.525
PET-UNK-c671f938-4
0.525
EDJ-MED-e69ed63d-8
0.525
EDJ-MED-eb111c00-3
0.523
EDJ-MED-eb111c00-4
0.522
EDJ-MED-015fb6b4-2
0.522
MAT-POS-acfe5bae-2
0.522
MAT-POS-a54ce14d-2
0.522
MAT-POS-a54ce14d-3
0.522
MIC-UNK-482af05e-3
0.522
EDJ-MED-e69ed63d-2
0.521
EDJ-MED-e69ed63d-5
0.520
EDJ-MED-d165ed91-3
0.520
PET-UNK-4d432d33-1
0.518
PET-UNK-4d432d33-5
0.518
EDJ-MED-41558c53-8
0.517
EDJ-MED-e69ed63d-4
0.516
EDJ-MED-e69ed63d-18
0.516
PET-UNK-03fd2068-1
0.514
PET-UNK-c7ac4d9e-1
0.513
PET-UNK-c7ac4d9e-2
0.513
EDJ-MED-43f8f7d6-6
0.513