Molecular Properties | |
SMILES: | CNC(=O)CN1C[C@@H](C(=O)Nc2cncc3cc(NS(C)(=O)=O)c(F)cc23)c2cc(Cl)ccc2C1=O |
MW: | 533.09 |
Fraction sp3: | 0.22 |
HBA: | 6 |
HBD: | 3 |
Rotatable Bonds: | 6 |
TPSA: | 137.57 |
cLogP: | 2.32 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
PET-UNK-c6bcc80b-10
1.000
JOH-UNI-d2a12aa9-2
0.842
JOH-UNI-d2a12aa9-4
0.741
EDJ-MED-827e7cb4-3
0.721
EDJ-MED-ce467fd5-1
0.721
MAT-POS-2e8b2191-11
0.720
MAT-POS-b4d6b7fc-2
0.713
MAT-POS-c7726e07-3
0.709
MAT-POS-c7726e07-4
0.709
MAT-POS-e119ab4f-2
0.709
MAT-POS-2e8b2191-12
0.708
EDJ-MED-0186a59b-7
0.708
LUO-POS-74179f4f-1
0.696
EDJ-MED-0186a59b-6
0.696
LUO-POS-edefcc0e-1
0.696
MAT-POS-e119ab4f-1
0.695
EDJ-MED-0186a59b-5
0.695
MAT-POS-c7726e07-1
0.695
MAT-POS-c7726e07-2
0.695
MAT-POS-a54ce14d-3
0.680
EDJ-MED-015fb6b4-2
0.680
MAT-POS-a54ce14d-2
0.680
MAT-POS-acfe5bae-2
0.680
JOH-UNI-d2a12aa9-1
0.670
MAT-POS-97ec4bd1-4
0.667
MAT-POS-37ffad05-1
0.661
MAT-POS-b4d6b7fc-4
0.661
PET-UNK-c6bcc80b-2
0.658
PET-UNK-c6bcc80b-9
0.658
MAT-POS-13080fc6-2
0.655
JOH-UNI-d2a12aa9-3
0.643
EDJ-MED-75baa495-3
0.639
MAT-POS-13080fc6-4
0.619
EDJ-MED-c4e42105-2
0.612
MIK-ENA-5d9157e9-3
0.609
EDJ-MED-0186a59b-8
0.609
MIK-ENA-5d9157e9-4
0.609
EDJ-MED-c99b2211-4
0.605
EDJ-MED-d165ed91-4
0.605
EDJ-MED-e69ed63d-12
0.605
EDJ-MED-e69ed63d-4
0.603
EDJ-MED-e69ed63d-8
0.600
EDJ-MED-e69ed63d-14
0.598
EDJ-MED-e69ed63d-2
0.595
EDG-MED-e300b289-1
0.595
PET-UNK-e9bc7c59-5
0.595
EDJ-MED-c4e42105-1
0.592
EDJ-MED-e69ed63d-18
0.588
MIC-UNK-51049f1a-1
0.588
EDJ-MED-e69ed63d-11
0.588
EDJ-MED-e69ed63d-7
0.588
EDJ-MED-e69ed63d-13
0.586
EDJ-MED-e69ed63d-16
0.585
EDJ-MED-c99b2211-3
0.585
RAL-THA-a9c31980-5
0.584
EDJ-MED-e69ed63d-1
0.583
EDJ-MED-e69ed63d-3
0.583
EDJ-MED-343bb62d-1
0.582
EDJ-MED-c99b2211-2
0.580
MIC-UNK-51049f1a-2
0.580
RAL-THA-a9c31980-1
0.580
RAL-THA-a9c31980-4
0.580
LUO-POS-868e8996-3
0.580
LUO-POS-868e8996-4
0.580
EDJ-MED-e69ed63d-5
0.580
EDJ-MED-d165ed91-3
0.580
EDJ-MED-e69ed63d-10
0.580
PET-UNK-f860268d-2
0.579
PET-UNK-f860268d-5
0.579
PET-UNK-c7ac4d9e-1
0.577
PET-UNK-c7ac4d9e-2
0.577
MAT-POS-e119ab4f-3
0.575
EDJ-MED-43f8f7d6-3
0.575
RAL-THA-a9c31980-3
0.575
EDJ-MED-43f8f7d6-4
0.575
JOH-UNI-6b98e24c-1
0.575
EDG-MED-e300b289-2
0.570
EDG-MED-e300b289-3
0.565
EDJ-MED-c99b2211-1
0.565
RAL-THA-5e0a6f1a-1
0.562
EDJ-MED-ce467fd5-2
0.560
RAL-THA-a9c31980-8
0.560
EDJ-MED-e69ed63d-15
0.559
EDJ-MED-e69ed63d-6
0.559
EDJ-MED-e69ed63d-9
0.559
EDJ-MED-e69ed63d-17
0.559
EDJ-MED-eb111c00-4
0.559
RAL-THA-a9c31980-6
0.557
EDJ-MED-41558c53-7
0.553
ALP-POS-b3e0acc5-1
0.553
RAL-THA-a9c31980-2
0.552
MIC-UNK-482af05e-4
0.550
ALP-POS-4483ae88-3
0.548
PET-UNK-c671f938-8
0.547
EDJ-MED-43f8f7d6-6
0.547
PET-UNK-c671f938-4
0.547
RAL-THA-a9c31980-9
0.542
EDJ-MED-41558c53-10
0.539
PET-UNK-c671f938-3
0.539
PET-UNK-c671f938-7
0.539