Molecular Properties | |
SMILES: | CNC(=O)C1(N2CC(C(=O)Nc3cncc4cc(Cl)ccc34)c3cc(Cl)ccc3C2=O)CC1 |
MW: | 482.09 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 4.0 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d165ed91-2
0.811
EDJ-MED-41558c53-4
0.811
LUO-POS-8701f4c8-1
0.785
EDJ-MED-12c4873b-2
0.785
EDJ-MED-43f8f7d6-2
0.785
EDJ-MED-c4e42105-4
0.692
EDJ-MED-41558c53-1
0.649
EDJ-MED-41558c53-11
0.649
EDJ-MED-41558c53-13
0.636
LUO-POS-74179f4f-1
0.636
EDJ-MED-0186a59b-6
0.636
LUO-POS-edefcc0e-1
0.636
EDJ-MED-41558c53-9
0.625
PET-UNK-c671f938-2
0.619
PET-UNK-c671f938-6
0.619
EDG-MED-9fc99cca-4
0.589
EDG-MED-e300b289-2
0.585
EDJ-MED-41558c53-7
0.581
EDJ-MED-41558c53-5
0.570
EDG-MED-e300b289-1
0.566
BEN-DND-f6031113-24
0.563
PET-UNK-3324058f-2
0.556
PET-UNK-3324058f-6
0.556
EDG-MED-e300b289-3
0.550
MAT-POS-c7726e07-2
0.532
MAT-POS-c7726e07-1
0.532
MAT-POS-e119ab4f-1
0.532
EDJ-MED-0186a59b-5
0.532
EDJ-MED-d165ed91-1
0.527
EDJ-MED-41558c53-2
0.527
EDJ-MED-41558c53-12
0.527
EDJ-MED-41558c53-14
0.527
EDG-MED-ee636701-3
0.524
EDJ-MED-41558c53-10
0.523
MAT-POS-2e8b2191-12
0.518
EDJ-MED-0186a59b-7
0.518
MAT-POS-b4d6b7fc-2
0.513
EDJ-MED-eb111c00-1
0.510
MIC-UNK-91acba05-2
0.510
PET-UNK-c671f938-1
0.509
PET-UNK-c671f938-5
0.509
JOH-UNI-6b98e24c-2
0.509
PET-UNK-c671f938-7
0.509
PET-UNK-c671f938-3
0.509
EDJ-MED-e69ed63d-7
0.504
PET-UNK-c671f938-4
0.504
PET-UNK-c671f938-8
0.504
EDJ-MED-e69ed63d-17
0.504
EDJ-MED-e69ed63d-13
0.504
EDJ-MED-015fb6b4-2
0.500
LUO-POS-3f66b338-1
0.500
EDJ-MED-12c4873b-4
0.500
MAT-POS-a54ce14d-2
0.500
EDJ-MED-d165ed91-6
0.500
EDJ-MED-0186a59b-2
0.500
MAT-POS-a54ce14d-3
0.500
EDJ-MED-7889e8da-3
0.500
EDJ-MED-43f8f7d6-1
0.500
MAT-POS-acfe5bae-2
0.500
EDJ-MED-e69ed63d-18
0.496
MAT-POS-b4d6b7fc-4
0.496
EDJ-MED-41558c53-8
0.496
EDJ-MED-e69ed63d-14
0.492
EDJ-MED-968bafd9-2
0.492
EDJ-MED-c99b2211-3
0.492
EDJ-MED-e69ed63d-8
0.491
EDJ-MED-e69ed63d-11
0.491
EDJ-MED-d165ed91-5
0.487
EDJ-MED-e69ed63d-1
0.487
MAT-POS-acfe5bae-3
0.486
MIC-UNK-482af05e-3
0.486
EDJ-MED-eb111c00-4
0.486
EDJ-MED-0047eae5-1
0.486
EDJ-MED-d165ed91-4
0.483
EDJ-MED-c99b2211-4
0.483
EDJ-MED-e69ed63d-12
0.483
ALP-POS-b3e0acc5-1
0.482
EDJ-MED-e69ed63d-16
0.479
EDJ-MED-e69ed63d-15
0.479
EDJ-MED-e69ed63d-6
0.479
PET-UNK-f860268d-2
0.477
PET-UNK-f860268d-5
0.477
EDJ-MED-e69ed63d-5
0.475
EDJ-MED-d165ed91-3
0.475
EDJ-MED-e69ed63d-2
0.475
EDJ-MED-e69ed63d-3
0.474
RAL-THA-a9c31980-5
0.474
EDJ-MED-eb111c00-2
0.473
PET-UNK-4d432d33-6
0.472
PET-UNK-4d432d33-2
0.472
EDJ-MED-eb111c00-3
0.472
EDJ-MED-e69ed63d-4
0.471
EDJ-MED-c99b2211-1
0.470
RAL-THA-a9c31980-1
0.469
LUO-POS-868e8996-3
0.469
LUO-POS-868e8996-4
0.469
EDJ-MED-0047eae5-2
0.468
PET-UNK-4d432d33-1
0.468
PET-UNK-4d432d33-5
0.468
EDJ-MED-41558c53-6
0.467