Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(S(C)(=O)=O)cc(C)c23)c2cc(Cl)ccc2C1=O |
MW: | 514.11 |
Fraction sp3: | 0.25 |
HBA: | 6 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 125.54 |
cLogP: | 2.52 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
MAT-POS-e119ab4f-3
0.716
MAT-POS-13080fc6-2
0.705
EDJ-MED-ce467fd5-1
0.692
EDJ-MED-827e7cb4-3
0.692
EDJ-MED-75baa495-3
0.689
EDJ-MED-0186a59b-7
0.664
MAT-POS-2e8b2191-12
0.664
JOH-UNI-d2a12aa9-3
0.661
JOH-UNI-d2a12aa9-1
0.658
MIK-ENA-5d9157e9-3
0.657
MIK-ENA-5d9157e9-4
0.657
MIC-UNK-51049f1a-2
0.657
EDJ-MED-0186a59b-8
0.657
MAT-POS-37ffad05-1
0.649
MAT-POS-13080fc6-6
0.636
MIC-UNK-51049f1a-1
0.633
MAT-POS-c7726e07-3
0.632
MAT-POS-c7726e07-4
0.632
MAT-POS-e119ab4f-2
0.632
MAT-POS-2e8b2191-11
0.631
MAT-POS-b4d6b7fc-2
0.625
MAT-POS-97ec4bd1-4
0.624
MAT-POS-b4d6b7fc-4
0.619
PET-UNK-c6bcc80b-3
0.619
PET-UNK-c6bcc80b-10
0.619
JOH-UNI-d2a12aa9-2
0.619
LUO-POS-74179f4f-1
0.619
MAT-POS-a54ce14d-3
0.619
EDJ-MED-0186a59b-6
0.619
LUO-POS-edefcc0e-1
0.619
MAT-POS-acfe5bae-2
0.619
EDJ-MED-015fb6b4-2
0.619
MAT-POS-a54ce14d-2
0.619
JOH-UNI-d2a12aa9-4
0.595
MAT-POS-c7726e07-1
0.591
MAT-POS-e119ab4f-1
0.591
EDJ-MED-0186a59b-5
0.591
MAT-POS-c7726e07-2
0.591
EDJ-MED-343bb62d-1
0.583
EDJ-MED-75baa495-2
0.580
ALP-POS-4483ae88-3
0.577
EDJ-MED-d165ed91-4
0.565
EDJ-MED-c99b2211-4
0.565
EDJ-MED-e69ed63d-12
0.565
EDJ-MED-e69ed63d-8
0.560
EDJ-MED-e69ed63d-14
0.559
EDJ-MED-e69ed63d-2
0.556
EDJ-MED-e69ed63d-4
0.551
EDJ-MED-75baa495-1
0.547
EDJ-MED-c99b2211-3
0.546
EDJ-MED-e69ed63d-16
0.546
EDJ-MED-d165ed91-3
0.542
EDJ-MED-e69ed63d-5
0.542
EDJ-MED-e69ed63d-10
0.542
EDJ-MED-e69ed63d-18
0.537
EDJ-MED-c4e42105-2
0.533
RAL-THA-a9c31980-5
0.530
LUO-POS-868e8996-3
0.526
LUO-POS-868e8996-4
0.526
RAL-THA-a9c31980-1
0.526
RAL-THA-a9c31980-4
0.526
EDJ-MED-c99b2211-2
0.526
PET-UNK-f860268d-2
0.523
PET-UNK-f860268d-5
0.523
RAL-THA-5e0a6f1a-1
0.522
EDJ-MED-43f8f7d6-3
0.522
RAL-THA-a9c31980-3
0.522
JOH-UNI-6b98e24c-1
0.522
MAT-POS-13080fc6-3
0.521
JOH-UNI-6b98e24c-3
0.517
EDJ-MED-c4e42105-1
0.516
EDJ-MED-c99b2211-1
0.513
EDJ-MED-fb79a796-2
0.509
PET-UNK-c7ac4d9e-1
0.509
PET-UNK-c7ac4d9e-2
0.509
EDJ-MED-43f8f7d6-4
0.509
EDJ-MED-ce467fd5-2
0.508
EDJ-MED-eb111c00-4
0.504
EDG-MED-e300b289-2
0.504
EDJ-MED-41558c53-12
0.504
RAL-THA-a9c31980-6
0.504
EDG-MED-e300b289-1
0.500
EDJ-MED-41558c53-10
0.500
PET-UNK-c671f938-7
0.500
EDG-MED-e300b289-3
0.500
RAL-THA-a9c31980-2
0.500
PET-UNK-c671f938-3
0.500
ALP-POS-b3e0acc5-1
0.500
EDJ-MED-e69ed63d-13
0.496
RAL-THA-a9c31980-8
0.496
EDJ-MED-43f8f7d6-6
0.496
EDJ-MED-e69ed63d-7
0.496
EDJ-MED-e69ed63d-11
0.496
PET-UNK-f860268d-1
0.496
PET-UNK-f860268d-4
0.496
RAL-THA-a9c31980-9
0.492
EDJ-MED-e69ed63d-1
0.492
EDJ-MED-41558c53-14
0.479
EDJ-MED-e69ed63d-3
0.479
EDJ-MED-827e7cb4-2
0.479