Molecular Properties | |
SMILES: | CNC(=O)C(C)(C)N1CC(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 484.11 |
Fraction sp3: | 0.25 |
HBA: | 4 |
HBD: | 2 |
Rotatable Bonds: | 4 |
TPSA: | 91.4 |
cLogP: | 4.24 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
EDJ-MED-d165ed91-1
0.802
EDJ-MED-41558c53-2
0.802
EDJ-MED-43f8f7d6-1
0.775
LUO-POS-3f66b338-1
0.775
EDJ-MED-12c4873b-4
0.775
EDJ-MED-c4e42105-3
0.680
EDJ-MED-41558c53-11
0.677
EDJ-MED-0186a59b-6
0.663
LUO-POS-74179f4f-1
0.663
LUO-POS-edefcc0e-1
0.663
PET-UNK-c671f938-6
0.663
PET-UNK-c671f938-2
0.663
EDJ-MED-41558c53-9
0.652
EDJ-MED-41558c53-3
0.649
EDG-MED-e300b289-2
0.624
EDJ-MED-41558c53-13
0.612
EDJ-MED-41558c53-7
0.604
EDJ-MED-41558c53-5
0.592
EDG-MED-e300b289-1
0.588
EDG-MED-9fc99cca-3
0.578
PET-UNK-3324058f-2
0.577
PET-UNK-3324058f-6
0.577
EDG-MED-e300b289-3
0.571
MAT-POS-c7726e07-1
0.552
MAT-POS-e119ab4f-1
0.552
EDJ-MED-0186a59b-5
0.552
MAT-POS-c7726e07-2
0.552
EDJ-MED-41558c53-12
0.547
PET-UNK-c671f938-1
0.544
PET-UNK-c671f938-5
0.544
EDJ-MED-41558c53-10
0.543
PET-UNK-c671f938-3
0.543
PET-UNK-c671f938-7
0.543
MAT-POS-2e8b2191-12
0.537
EDJ-MED-0186a59b-7
0.537
EDJ-MED-e69ed63d-11
0.537
PET-UNK-c671f938-4
0.537
PET-UNK-c671f938-8
0.537
MAT-POS-b4d6b7fc-2
0.532
MIC-UNK-91acba05-2
0.531
EDJ-MED-eb111c00-1
0.531
EDG-MED-ee636701-3
0.529
EDJ-MED-d165ed91-4
0.527
EDJ-MED-c99b2211-4
0.527
EDJ-MED-e69ed63d-12
0.527
EDJ-MED-d165ed91-2
0.527
EDJ-MED-41558c53-4
0.527
EDJ-MED-e69ed63d-7
0.523
EDJ-MED-e69ed63d-17
0.523
EDJ-MED-7889e8da-3
0.519
MAT-POS-acfe5bae-2
0.519
MAT-POS-acfe5bae-3
0.519
EDJ-MED-0186a59b-2
0.519
EDJ-MED-015fb6b4-2
0.519
MAT-POS-a54ce14d-2
0.519
MAT-POS-a54ce14d-3
0.519
EDJ-MED-41558c53-8
0.514
MAT-POS-b4d6b7fc-4
0.513
EDJ-MED-e69ed63d-18
0.513
MAT-POS-e2d70d27-1
0.509
EDJ-MED-e69ed63d-13
0.509
EDJ-MED-e69ed63d-8
0.509
EDJ-MED-0047eae5-1
0.505
PET-UNK-4d432d33-2
0.505
PET-UNK-4d432d33-6
0.505
MIC-UNK-482af05e-3
0.505
EDJ-MED-d165ed91-5
0.505
EDJ-MED-d165ed91-6
0.505
EDJ-MED-e69ed63d-1
0.505
EDJ-MED-41558c53-14
0.505
EDJ-MED-43f8f7d6-2
0.500
EDJ-MED-12c4873b-2
0.500
PET-UNK-4d432d33-1
0.500
JOH-UNI-6b98e24c-2
0.500
PET-UNK-4d432d33-5
0.500
LUO-POS-8701f4c8-1
0.500
RAL-THA-a9c31980-4
0.500
EDJ-MED-c99b2211-2
0.500
EDJ-MED-e69ed63d-14
0.496
EDJ-MED-e69ed63d-16
0.496
EDJ-MED-e69ed63d-6
0.496
EDJ-MED-e69ed63d-15
0.496
PET-UNK-f860268d-5
0.495
PET-UNK-f860268d-2
0.495
EDJ-MED-e69ed63d-5
0.491
EDJ-MED-d165ed91-3
0.491
EDJ-MED-e69ed63d-2
0.491
EDJ-MED-e69ed63d-3
0.491
EDJ-MED-eb111c00-2
0.491
EDJ-MED-eb111c00-4
0.491
EDJ-MED-eb111c00-3
0.490
EDJ-MED-e69ed63d-4
0.487
MAT-POS-97ec4bd1-4
0.486
RAL-THA-a9c31980-1
0.486
ALP-POS-b3e0acc5-1
0.486
LUO-POS-868e8996-3
0.486
LUO-POS-868e8996-4
0.486
EDJ-MED-0047eae5-2
0.486
EDJ-MED-968bafd9-2
0.483
EDJ-MED-41558c53-6
0.483