Molecular Properties | |
SMILES: | CC(C)(C)NC(=O)CN1CC(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)cc23)c2cc(Cl)ccc2C1=O |
MW: | 557.15 |
Fraction sp3: | 0.31 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 137.57 |
cLogP: | 3.35 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-2e8b2191-11
MAT-POS-2e8b2191-11
0.850
EDJ-MED-c4e42105-1
0.794
RAL-THA-a9c31980-4
0.695
EDJ-MED-c99b2211-2
0.695
EDJ-MED-d165ed91-4
0.688
EDJ-MED-c99b2211-4
0.688
EDJ-MED-e69ed63d-12
0.688
EDJ-MED-c4e42105-3
0.688
MAT-POS-b4d6b7fc-2
0.676
EDJ-MED-e69ed63d-11
0.655
EDJ-MED-ce467fd5-1
0.651
EDJ-MED-827e7cb4-3
0.651
MAT-POS-97ec4bd1-4
0.645
EDJ-MED-c4e42105-4
0.635
EDJ-MED-75baa495-2
0.631
MAT-POS-c7726e07-3
0.624
MAT-POS-c7726e07-4
0.624
MAT-POS-e119ab4f-2
0.624
MAT-POS-37ffad05-1
0.612
JOH-UNI-d2a12aa9-2
0.612
PET-UNK-c6bcc80b-3
0.612
PET-UNK-c6bcc80b-10
0.612
JOH-UNI-d2a12aa9-4
0.602
EDJ-MED-d9f3798e-1
0.600
PET-UNK-c671f938-4
0.596
PET-UNK-c671f938-8
0.596
MAT-POS-2e8b2191-10
0.586
EDJ-MED-0186a59b-7
0.583
MAT-POS-2e8b2191-12
0.583
MAT-POS-a54ce14d-3
0.582
EDJ-MED-0186a59b-6
0.582
LUO-POS-edefcc0e-1
0.582
MAT-POS-acfe5bae-2
0.582
EDJ-MED-015fb6b4-2
0.582
MAT-POS-a54ce14d-2
0.582
LUO-POS-74179f4f-1
0.582
EDG-MED-e300b289-2
0.579
EDJ-MED-e69ed63d-2
0.576
JOH-UNI-6b98e24c-1
0.570
EDJ-MED-43f8f7d6-3
0.570
RAL-THA-a9c31980-3
0.570
EDJ-MED-e69ed63d-8
0.568
EDJ-MED-e69ed63d-16
0.567
MAT-POS-13080fc6-2
0.564
EDJ-MED-d165ed91-3
0.562
EDJ-MED-e69ed63d-5
0.562
RAL-THA-a9c31980-1
0.561
LUO-POS-868e8996-3
0.561
LUO-POS-868e8996-4
0.561
PET-UNK-f860268d-5
0.560
PET-UNK-f860268d-2
0.560
EDJ-MED-e69ed63d-4
0.558
PET-UNK-c7ac4d9e-1
0.558
PET-UNK-c7ac4d9e-2
0.558
EDJ-MED-e69ed63d-18
0.557
EDJ-MED-c99b2211-3
0.554
JOH-UNI-d2a12aa9-1
0.554
EDJ-MED-e69ed63d-14
0.554
RAL-THA-a9c31980-5
0.552
EDJ-MED-e69ed63d-10
0.549
EDG-MED-e300b289-1
0.548
EDJ-MED-c99b2211-1
0.547
MAT-POS-b4d6b7fc-4
0.545
JOH-UNI-d2a12aa9-3
0.545
PET-UNK-3324058f-4
0.544
PET-UNK-3324058f-8
0.544
PET-UNK-329a9ce9-1
0.544
RAL-THA-5e0a6f1a-1
0.544
MAT-POS-c7726e07-2
0.543
MAT-POS-c7726e07-1
0.543
EDJ-MED-43f8f7d6-4
0.543
MAT-POS-e119ab4f-1
0.543
EDJ-MED-0186a59b-5
0.543
RAL-THA-a9c31980-8
0.542
EDJ-MED-43f8f7d6-6
0.542
EDJ-MED-eb111c00-4
0.540
RAL-THA-a9c31980-6
0.538
EDJ-MED-e69ed63d-1
0.538
ALP-POS-b3e0acc5-1
0.534
EDG-MED-e300b289-3
0.534
RAL-THA-a9c31980-2
0.534
MAT-POS-13080fc6-4
0.533
EDJ-MED-d9f3798e-3
0.530
EDJ-MED-e69ed63d-7
0.529
EDJ-MED-41558c53-12
0.525
RAL-THA-a9c31980-9
0.525
EDJ-MED-378a25ea-26
0.524
MAT-POS-e36d57d9-1
0.524
MAT-POS-2e8b2191-9
0.524
EDJ-MED-41558c53-11
0.522
EDJ-MED-75baa495-3
0.521
EDJ-MED-41558c53-7
0.521
EDJ-MED-e69ed63d-6
0.516
EDJ-MED-e69ed63d-15
0.516
EDJ-MED-e69ed63d-17
0.516
EDJ-MED-e69ed63d-13
0.516
EDJ-MED-d9f3798e-2
0.513
EDJ-MED-e69ed63d-3
0.512
PET-UNK-c671f938-3
0.508
EDJ-MED-41558c53-10
0.508