Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3ccc(NS(C)(=O)=O)c(OC)c23)c2cc(Cl)ccc2C1=O |
MW: | 545.11 |
Fraction sp3: | 0.25 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 146.8 |
cLogP: | 2.19 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Hetero_hetero
MAT-POS-13080fc6-2
0.779
JOH-UNI-d2a12aa9-1
0.743
EDJ-MED-0186a59b-8
0.667
MIK-ENA-5d9157e9-3
0.667
MIK-ENA-5d9157e9-4
0.667
JOH-UNI-d2a12aa9-4
0.661
MAT-POS-13080fc6-4
0.661
MAT-POS-e119ab4f-3
0.661
EDJ-MED-75baa495-3
0.651
MIC-UNK-51049f1a-2
0.651
PET-UNK-c6bcc80b-3
0.643
PET-UNK-c6bcc80b-10
0.643
MAT-POS-2e8b2191-11
0.640
MAT-POS-b4d6b7fc-2
0.635
JOH-UNI-d2a12aa9-2
0.629
MIC-UNK-51049f1a-1
0.628
EDJ-MED-ce467fd5-1
0.625
EDJ-MED-827e7cb4-3
0.625
MAT-POS-37ffad05-1
0.602
MAT-POS-2e8b2191-12
0.600
EDJ-MED-0186a59b-7
0.600
MAT-POS-a54ce14d-2
0.600
EDJ-MED-0186a59b-6
0.600
MAT-POS-a54ce14d-3
0.600
LUO-POS-edefcc0e-1
0.600
MAT-POS-acfe5bae-2
0.600
EDJ-MED-015fb6b4-2
0.600
LUO-POS-74179f4f-1
0.600
MAT-POS-e119ab4f-2
0.598
MAT-POS-c7726e07-3
0.598
MAT-POS-c7726e07-4
0.598
MAT-POS-b4d6b7fc-4
0.588
MAT-POS-97ec4bd1-4
0.578
MAT-POS-e119ab4f-1
0.574
EDJ-MED-0186a59b-5
0.574
MAT-POS-c7726e07-1
0.574
MAT-POS-c7726e07-2
0.574
EDJ-MED-75baa495-2
0.551
ALP-POS-4483ae88-3
0.547
EDJ-MED-c4e42105-2
0.545
EDJ-MED-343bb62d-1
0.539
PET-UNK-c7ac4d9e-1
0.534
PET-UNK-c7ac4d9e-2
0.534
RAL-THA-a9c31980-5
0.529
EDJ-MED-c4e42105-1
0.528
EDJ-MED-43f8f7d6-3
0.521
RAL-THA-a9c31980-3
0.521
JOH-UNI-6b98e24c-1
0.521
EDJ-MED-75baa495-1
0.520
EDJ-MED-e69ed63d-14
0.520
EDJ-MED-e69ed63d-16
0.520
RAL-THA-a9c31980-6
0.517
EDJ-MED-e69ed63d-2
0.516
RAL-THA-a9c31980-1
0.513
RAL-THA-a9c31980-4
0.513
EDJ-MED-c99b2211-2
0.513
LUO-POS-868e8996-3
0.513
LUO-POS-868e8996-4
0.513
EDJ-MED-d165ed91-4
0.512
EDJ-MED-c99b2211-4
0.512
EDJ-MED-e69ed63d-12
0.512
PET-UNK-f860268d-2
0.509
PET-UNK-f860268d-5
0.509
EDJ-MED-e69ed63d-8
0.508
EDG-MED-e300b289-2
0.504
JOH-UNI-6b98e24c-3
0.504
RAL-THA-a9c31980-9
0.504
EDJ-MED-e69ed63d-4
0.500
EDJ-MED-e69ed63d-18
0.500
EDG-MED-e300b289-1
0.500
EDJ-MED-c99b2211-1
0.500
EDJ-MED-c99b2211-3
0.496
EDJ-MED-e69ed63d-13
0.496
RAL-THA-a9c31980-8
0.496
EDJ-MED-43f8f7d6-4
0.496
RAL-THA-5e0a6f1a-1
0.496
EDJ-MED-fb79a796-2
0.496
EDJ-MED-e69ed63d-5
0.492
EDJ-MED-d165ed91-3
0.492
EDJ-MED-e69ed63d-10
0.492
MAT-POS-13080fc6-5
0.492
EDJ-MED-e69ed63d-1
0.492
EDJ-MED-eb111c00-4
0.492
RAL-THA-a9c31980-2
0.488
EDG-MED-e300b289-3
0.488
ALP-POS-b3e0acc5-1
0.488
EDJ-MED-41558c53-7
0.488
EDJ-MED-e69ed63d-15
0.484
EDJ-MED-e69ed63d-7
0.484
EDJ-MED-e69ed63d-11
0.484
PET-UNK-c671f938-4
0.484
PET-UNK-c671f938-8
0.484
EDJ-MED-43f8f7d6-6
0.484
EDJ-MED-e69ed63d-17
0.472
PET-UNK-f860268d-4
0.472
PET-UNK-f860268d-1
0.472
EDJ-MED-e69ed63d-3
0.468
EDJ-MED-eb111c00-2
0.467
EDJ-MED-41558c53-8
0.465
EDJ-MED-e69ed63d-6
0.461