Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(F)c(NS(C)(=O)=O)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-3
0.842
PET-UNK-c6bcc80b-10
0.842
JOH-UNI-d2a12aa9-4
0.774
EDJ-MED-827e7cb4-3
0.721
EDJ-MED-ce467fd5-1
0.721
MAT-POS-2e8b2191-11
0.720
PET-UNK-e9bc7c59-5
0.718
MAT-POS-b4d6b7fc-2
0.713
MAT-POS-c7726e07-3
0.709
MAT-POS-c7726e07-4
0.709
MAT-POS-e119ab4f-2
0.709
EDJ-MED-0186a59b-7
0.708
MAT-POS-2e8b2191-12
0.708
LUO-POS-edefcc0e-1
0.696
EDJ-MED-0186a59b-6
0.696
LUO-POS-74179f4f-1
0.696
MAT-POS-c7726e07-2
0.695
EDJ-MED-0186a59b-5
0.695
MAT-POS-e119ab4f-1
0.695
MAT-POS-c7726e07-1
0.695
JOH-UNI-d2a12aa9-1
0.670
MAT-POS-acfe5bae-2
0.663
MAT-POS-a54ce14d-3
0.663
EDJ-MED-015fb6b4-2
0.663
MAT-POS-a54ce14d-2
0.663
MAT-POS-37ffad05-1
0.661
MAT-POS-b4d6b7fc-4
0.661
MAT-POS-13080fc6-2
0.655
MAT-POS-97ec4bd1-4
0.651
JOH-UNI-d2a12aa9-3
0.629
EDJ-MED-75baa495-3
0.624
MAT-POS-13080fc6-4
0.619
EDJ-MED-c4e42105-2
0.612
EDJ-MED-e69ed63d-14
0.612
EDJ-MED-c99b2211-4
0.605
EDJ-MED-d165ed91-4
0.605
EDJ-MED-e69ed63d-12
0.605
EDJ-MED-e69ed63d-8
0.600
PET-UNK-e9bc7c59-2
0.600
EDJ-MED-e69ed63d-13
0.600
EDJ-MED-343bb62d-1
0.596
EDJ-MED-e69ed63d-2
0.595
EDJ-MED-c4e42105-1
0.592
EDJ-MED-e69ed63d-4
0.590
EDJ-MED-e69ed63d-18
0.588
EDJ-MED-e69ed63d-7
0.588
EDJ-MED-e69ed63d-11
0.588
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-0186a59b-8
0.580
MIK-ENA-5d9157e9-4
0.580
EDG-MED-e300b289-1
0.580
MIK-ENA-5d9157e9-3
0.580
MIC-UNK-51049f1a-2
0.580
EDJ-MED-e69ed63d-5
0.580
EDJ-MED-d165ed91-3
0.580
EDJ-MED-e69ed63d-10
0.580
MAT-POS-e119ab4f-3
0.575
EDJ-MED-ce467fd5-2
0.574
MIC-UNK-51049f1a-1
0.574
EDG-MED-e300b289-2
0.570
EDJ-MED-e69ed63d-3
0.569
LUO-POS-868e8996-3
0.566
RAL-THA-a9c31980-4
0.566
LUO-POS-868e8996-4
0.566
RAL-THA-a9c31980-1
0.566
EDJ-MED-c99b2211-2
0.566
PET-UNK-f860268d-2
0.565
PET-UNK-f860268d-5
0.565
PET-UNK-c7ac4d9e-2
0.562
PET-UNK-c7ac4d9e-1
0.562
RAL-THA-a9c31980-3
0.561
JOH-UNI-6b98e24c-1
0.561
EDJ-MED-43f8f7d6-3
0.561
EDJ-MED-e69ed63d-15
0.559
EDJ-MED-e69ed63d-6
0.559
EDJ-MED-e69ed63d-9
0.559
EDJ-MED-e69ed63d-17
0.559
PET-UNK-09a29654-2
0.553
EDJ-MED-41558c53-7
0.553
EDG-MED-e300b289-3
0.552
EDJ-MED-c99b2211-1
0.552
RAL-THA-5e0a6f1a-1
0.549
EDJ-MED-43f8f7d6-4
0.548
ALP-POS-4483ae88-3
0.548
RAL-THA-a9c31980-8
0.547
PET-UNK-c671f938-4
0.547
PET-UNK-c671f938-8
0.547
PET-UNK-c6bcc80b-2
0.546
PET-UNK-c6bcc80b-9
0.546
EDJ-MED-eb111c00-4
0.545
RAL-THA-a9c31980-6
0.543
ALP-POS-b3e0acc5-1
0.539
EDJ-MED-41558c53-10
0.539
PET-UNK-329a9ce9-3
0.539
PET-UNK-c671f938-3
0.539
PET-UNK-c671f938-7
0.539
RAL-THA-a9c31980-2
0.538