Molecular Properties | |
SMILES: | CS(=O)(=O)NCCN1CC(C(=O)Nc2cncc3cc(Cl)ccc23)c2cc(Cl)ccc2C1=O |
MW: | 506.06 |
Fraction sp3: | 0.23 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 108.47 |
cLogP: | 3.27 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
EDJ-MED-41558c53-8
0.851
EDJ-MED-41558c53-9
0.775
PET-UNK-c671f938-6
0.710
PET-UNK-c671f938-2
0.710
EDJ-MED-41558c53-11
0.705
EDJ-MED-41558c53-10
0.697
EDJ-MED-0186a59b-6
0.691
LUO-POS-edefcc0e-1
0.691
EDJ-MED-41558c53-13
0.691
LUO-POS-74179f4f-1
0.691
EDJ-MED-41558c53-5
0.667
EDG-MED-e300b289-1
0.663
EDG-MED-e300b289-2
0.650
PET-UNK-c671f938-4
0.638
PET-UNK-c671f938-8
0.638
PET-UNK-3324058f-2
0.635
PET-UNK-3324058f-6
0.635
PET-UNK-c671f938-3
0.631
ALP-POS-b3e0acc5-1
0.631
PET-UNK-c671f938-7
0.631
EDG-MED-e300b289-3
0.629
EDJ-MED-41558c53-12
0.619
EDJ-MED-41558c53-14
0.617
MAT-POS-b4d6b7fc-2
0.615
EDJ-MED-0186a59b-7
0.607
MAT-POS-2e8b2191-12
0.607
EDJ-MED-e69ed63d-8
0.606
EDJ-MED-41558c53-1
0.604
EDJ-MED-e69ed63d-14
0.604
EDJ-MED-e69ed63d-16
0.604
EDJ-MED-d165ed91-4
0.596
EDJ-MED-c99b2211-4
0.596
EDJ-MED-e69ed63d-12
0.596
EDJ-MED-e69ed63d-4
0.595
EDJ-MED-e69ed63d-18
0.593
MIC-UNK-482af05e-3
0.592
EDJ-MED-eb111c00-4
0.592
EDJ-MED-eb111c00-2
0.590
EDJ-MED-41558c53-6
0.589
PET-UNK-c671f938-1
0.587
PET-UNK-c671f938-5
0.587
EDJ-MED-e69ed63d-2
0.586
EDJ-MED-d165ed91-3
0.584
EDJ-MED-e69ed63d-5
0.584
EDJ-MED-e69ed63d-10
0.584
EDJ-MED-41558c53-3
0.581
MAT-POS-b4d6b7fc-4
0.580
MAT-POS-c7726e07-2
0.579
MAT-POS-c7726e07-1
0.579
MAT-POS-e119ab4f-1
0.579
EDJ-MED-0186a59b-5
0.579
EDJ-MED-e69ed63d-7
0.578
PET-UNK-3324058f-4
0.578
PET-UNK-3324058f-8
0.578
EDJ-MED-e69ed63d-13
0.577
PET-UNK-3324058f-3
0.575
PET-UNK-3324058f-7
0.575
EDJ-MED-c99b2211-3
0.575
MIC-UNK-482af05e-4
0.567
EDJ-MED-e69ed63d-11
0.564
EDJ-MED-eb111c00-3
0.563
EDJ-MED-e69ed63d-15
0.562
EDJ-MED-e69ed63d-17
0.562
EDJ-MED-e69ed63d-1
0.559
EDJ-MED-e69ed63d-3
0.559
PET-UNK-f860268d-5
0.553
PET-UNK-f860268d-2
0.553
JOH-UNI-d2a12aa9-2
0.553
PET-UNK-c6bcc80b-3
0.553
PET-UNK-c6bcc80b-10
0.553
EDJ-MED-e69ed63d-9
0.549
EDJ-MED-e69ed63d-6
0.549
PET-UNK-4d432d33-2
0.548
PET-UNK-4d432d33-6
0.548
MAT-POS-a54ce14d-3
0.547
MAT-POS-acfe5bae-2
0.547
EDJ-MED-015fb6b4-2
0.547
MAT-POS-a54ce14d-2
0.547
RAL-THA-a9c31980-5
0.545
EDJ-MED-d165ed91-5
0.545
JOH-UNI-d2a12aa9-4
0.543
PET-UNK-4d432d33-1
0.543
PET-UNK-4d432d33-5
0.543
RAL-THA-a9c31980-1
0.541
LUO-POS-868e8996-3
0.541
LUO-POS-868e8996-4
0.541
PET-UNK-c7ac4d9e-1
0.537
PET-UNK-c7ac4d9e-2
0.537
RAL-THA-5e0a6f1a-1
0.537
MAT-POS-2e8b2191-11
0.535
EDJ-MED-ce467fd5-1
0.532
EDJ-MED-827e7cb4-3
0.532
EDJ-MED-d165ed91-1
0.532
EDJ-MED-41558c53-2
0.532
RAL-THA-a9c31980-6
0.532
EDJ-MED-d165ed91-6
0.531
PET-UNK-3324058f-1
0.530
PET-UNK-3324058f-5
0.530
PET-UNK-e9bc7c59-5
0.527
RAL-THA-a9c31980-4
0.527