Molecular Properties | |
SMILES: | CNC(=O)CN1CC(C(=O)Nc2cncc3cc(OC)c(NS(C)(=O)=O)cc23)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
JOH-UNI-d2a12aa9-2
0.774
PET-UNK-c6bcc80b-3
0.741
PET-UNK-c6bcc80b-10
0.741
MAT-POS-2e8b2191-11
0.706
MAT-POS-b4d6b7fc-2
0.700
EDJ-MED-ce467fd5-1
0.692
EDJ-MED-827e7cb4-3
0.692
EDJ-MED-0186a59b-6
0.683
LUO-POS-edefcc0e-1
0.683
LUO-POS-74179f4f-1
0.683
MAT-POS-2e8b2191-12
0.679
EDJ-MED-0186a59b-7
0.679
MAT-POS-c7726e07-3
0.664
MAT-POS-e119ab4f-2
0.664
MAT-POS-c7726e07-4
0.664
JOH-UNI-d2a12aa9-3
0.661
MAT-POS-c7726e07-1
0.651
EDJ-MED-0186a59b-5
0.651
MAT-POS-e119ab4f-1
0.651
MAT-POS-c7726e07-2
0.651
MAT-POS-a54ce14d-3
0.651
MAT-POS-acfe5bae-2
0.651
EDJ-MED-015fb6b4-2
0.651
MAT-POS-a54ce14d-2
0.651
MAT-POS-37ffad05-1
0.649
MAT-POS-b4d6b7fc-4
0.649
JOH-UNI-d2a12aa9-1
0.643
MAT-POS-13080fc6-2
0.643
MAT-POS-97ec4bd1-4
0.640
EDJ-MED-c4e42105-2
0.602
MAT-POS-13080fc6-4
0.595
EDJ-MED-75baa495-3
0.584
EDJ-MED-c4e42105-1
0.582
EDJ-MED-e69ed63d-12
0.581
EDJ-MED-d165ed91-4
0.581
EDJ-MED-c99b2211-4
0.581
PET-UNK-c7ac4d9e-1
0.580
PET-UNK-c7ac4d9e-2
0.580
EDJ-MED-e69ed63d-8
0.576
EDJ-MED-e69ed63d-14
0.575
EDJ-MED-e69ed63d-16
0.575
EDJ-MED-343bb62d-1
0.571
EDJ-MED-e69ed63d-2
0.571
MIK-ENA-5d9157e9-3
0.570
MIK-ENA-5d9157e9-4
0.570
EDJ-MED-0186a59b-8
0.570
MIC-UNK-51049f1a-2
0.570
EDG-MED-e300b289-1
0.570
EDJ-MED-e69ed63d-4
0.567
MAT-POS-e119ab4f-3
0.565
EDJ-MED-c99b2211-3
0.562
RAL-THA-a9c31980-5
0.560
EDG-MED-e300b289-2
0.560
EDJ-MED-d165ed91-3
0.557
EDJ-MED-e69ed63d-5
0.557
EDJ-MED-e69ed63d-10
0.557
LUO-POS-868e8996-3
0.557
RAL-THA-a9c31980-1
0.557
RAL-THA-a9c31980-4
0.557
EDJ-MED-c99b2211-2
0.557
LUO-POS-868e8996-4
0.557
PET-UNK-f860268d-2
0.555
PET-UNK-f860268d-5
0.555
EDJ-MED-e69ed63d-18
0.553
JOH-UNI-6b98e24c-1
0.552
RAL-THA-a9c31980-3
0.552
EDJ-MED-43f8f7d6-3
0.552
MIC-UNK-51049f1a-1
0.551
EDJ-MED-e69ed63d-7
0.551
EDJ-MED-e69ed63d-11
0.551
PET-UNK-c671f938-4
0.551
PET-UNK-c671f938-8
0.551
EDJ-MED-e69ed63d-13
0.550
RAL-THA-a9c31980-6
0.547
EDJ-MED-e69ed63d-1
0.546
EDJ-MED-41558c53-7
0.543
PET-UNK-e9bc7c59-5
0.543
EDG-MED-e300b289-3
0.542
EDJ-MED-c99b2211-1
0.542
RAL-THA-5e0a6f1a-1
0.539
ALP-POS-4483ae88-3
0.538
EDJ-MED-43f8f7d6-4
0.538
EDJ-MED-e69ed63d-15
0.537
EDJ-MED-eb111c00-4
0.535
RAL-THA-a9c31980-9
0.533
EDJ-MED-e69ed63d-3
0.533
ALP-POS-b3e0acc5-1
0.530
EDJ-MED-41558c53-10
0.530
PET-UNK-c671f938-3
0.530
PET-UNK-c671f938-7
0.530
RAL-THA-a9c31980-2
0.529
EDJ-MED-43f8f7d6-6
0.525
RAL-THA-a9c31980-8
0.525
EDJ-MED-e69ed63d-17
0.525
EDJ-MED-e69ed63d-6
0.525
EDJ-MED-e69ed63d-9
0.525
EDJ-MED-41558c53-9
0.523
PET-UNK-c671f938-2
0.518
PET-UNK-c671f938-6
0.518
EDJ-MED-41558c53-8
0.516