Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)c(C)c23)c2cc(Cl)ccc2C1=O |
MW: | 529.12 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 137.57 |
cLogP: | 2.49 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
JOH-UNI-d2a12aa9-1
0.794
JOH-UNI-d2a12aa9-3
0.779
MAT-POS-e119ab4f-3
0.706
MAT-POS-13080fc6-4
0.705
MIC-UNK-51049f1a-2
0.696
EDJ-MED-0186a59b-8
0.696
MIK-ENA-5d9157e9-3
0.696
MIK-ENA-5d9157e9-4
0.696
EDJ-MED-75baa495-3
0.696
MIC-UNK-51049f1a-1
0.670
MAT-POS-2e8b2191-11
0.667
MAT-POS-b4d6b7fc-2
0.661
PET-UNK-c6bcc80b-3
0.655
PET-UNK-c6bcc80b-10
0.655
JOH-UNI-d2a12aa9-2
0.655
EDJ-MED-ce467fd5-1
0.651
EDJ-MED-827e7cb4-3
0.651
JOH-UNI-d2a12aa9-4
0.643
MAT-POS-13080fc6-5
0.633
MAT-POS-a54ce14d-3
0.625
LUO-POS-edefcc0e-1
0.625
MAT-POS-acfe5bae-2
0.625
EDJ-MED-015fb6b4-2
0.625
LUO-POS-74179f4f-1
0.625
MAT-POS-a54ce14d-2
0.625
MAT-POS-37ffad05-1
0.625
EDJ-MED-0186a59b-6
0.625
MAT-POS-2e8b2191-12
0.624
EDJ-MED-0186a59b-7
0.624
MAT-POS-e119ab4f-2
0.623
MAT-POS-c7726e07-3
0.623
MAT-POS-c7726e07-4
0.623
MAT-POS-b4d6b7fc-4
0.611
MAT-POS-97ec4bd1-4
0.600
MAT-POS-c7726e07-2
0.596
MAT-POS-e119ab4f-1
0.596
EDJ-MED-0186a59b-5
0.596
MAT-POS-c7726e07-1
0.596
EDJ-MED-75baa495-2
0.586
ALP-POS-4483ae88-3
0.582
EDJ-MED-343bb62d-1
0.574
EDJ-MED-c4e42105-2
0.564
EDJ-MED-75baa495-1
0.552
RAL-THA-a9c31980-5
0.549
EDJ-MED-c4e42105-1
0.545
EDJ-MED-e69ed63d-14
0.538
LUO-POS-868e8996-3
0.531
LUO-POS-868e8996-4
0.531
RAL-THA-a9c31980-1
0.531
RAL-THA-a9c31980-4
0.531
EDJ-MED-c99b2211-2
0.531
EDJ-MED-c99b2211-1
0.530
EDJ-MED-d165ed91-4
0.530
EDJ-MED-c99b2211-4
0.530
EDJ-MED-e69ed63d-12
0.530
PET-UNK-f860268d-5
0.528
EDJ-MED-fb79a796-2
0.528
PET-UNK-f860268d-2
0.528
PET-UNK-c7ac4d9e-1
0.527
PET-UNK-c7ac4d9e-2
0.527
JOH-UNI-6b98e24c-1
0.526
EDJ-MED-43f8f7d6-3
0.526
RAL-THA-a9c31980-3
0.526
EDJ-MED-e69ed63d-8
0.525
EDJ-MED-c99b2211-3
0.525
EDG-MED-e300b289-2
0.522
JOH-UNI-6b98e24c-3
0.522
EDJ-MED-e69ed63d-2
0.521
EDG-MED-e300b289-1
0.518
ALP-POS-b3e0acc5-1
0.518
EDJ-MED-e69ed63d-4
0.517
EDJ-MED-e69ed63d-18
0.516
RAL-THA-5e0a6f1a-1
0.513
EDJ-MED-43f8f7d6-4
0.513
PET-UNK-c671f938-4
0.513
PET-UNK-c671f938-8
0.513
RAL-THA-a9c31980-8
0.513
EDJ-MED-e69ed63d-13
0.513
MAT-POS-13080fc6-1
0.512
EDJ-MED-e69ed63d-16
0.512
EDJ-MED-eb111c00-4
0.509
RAL-THA-a9c31980-6
0.509
EDJ-MED-e69ed63d-10
0.508
EDJ-MED-e69ed63d-5
0.508
EDJ-MED-d165ed91-3
0.508
RAL-THA-a9c31980-2
0.504
EDJ-MED-43f8f7d6-6
0.500
EDJ-MED-e69ed63d-7
0.500
EDJ-MED-e69ed63d-11
0.500
RAL-THA-a9c31980-9
0.496
EDJ-MED-e69ed63d-1
0.496
EDG-MED-e300b289-3
0.492
EDJ-MED-41558c53-7
0.491
EDJ-MED-e69ed63d-17
0.488
EDJ-MED-e69ed63d-3
0.483
PET-UNK-4d432d33-2
0.482
PET-UNK-4d432d33-6
0.482
PET-UNK-c671f938-7
0.479
PET-UNK-c671f938-3
0.479
PET-UNK-4d432d33-1
0.478