Molecular Properties | |
SMILES: | CS(=O)(=O)Nc1ccc2cncc(NC(=O)C3CN(CC(=O)NC4COC4)C(=O)c4ccc(Cl)cc43)c2c1 |
MW: | 557.11 |
Fraction sp3: | 0.28 |
HBA: | 7 |
HBD: | 3 |
Rotatable Bonds: | 7 |
TPSA: | 146.8 |
cLogP: | 1.95 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Oxetanes, thietanes
Hetero_hetero
MAT-POS-2e8b2191-11
MAT-POS-2e8b2191-11
0.817
EDJ-MED-c4e42105-2
0.794
EDJ-MED-d165ed91-3
0.708
EDJ-MED-e69ed63d-5
0.708
EDJ-MED-43f8f7d6-6
0.706
EDJ-MED-e69ed63d-6
0.673
MAT-POS-b4d6b7fc-2
0.667
EDJ-MED-75baa495-1
0.643
EDJ-MED-c4e42105-3
0.635
EDJ-MED-ce467fd5-1
0.628
EDJ-MED-827e7cb4-3
0.628
EDG-MED-9fc99cca-2
0.626
EDJ-MED-e69ed63d-4
0.619
EDJ-MED-c4e42105-4
0.613
MAT-POS-97ec4bd1-4
0.609
EDJ-MED-e69ed63d-10
0.608
EDJ-MED-43f8f7d6-4
0.605
MAT-POS-c7726e07-3
0.602
MAT-POS-c7726e07-4
0.602
MAT-POS-e119ab4f-2
0.602
RAL-THA-a9c31980-2
0.595
PET-UNK-c6bcc80b-3
0.592
PET-UNK-c6bcc80b-10
0.592
MAT-POS-37ffad05-1
0.592
JOH-UNI-d2a12aa9-2
0.592
PET-UNK-c671f938-4
0.590
PET-UNK-c671f938-8
0.590
EDJ-MED-e69ed63d-3
0.585
JOH-UNI-d2a12aa9-4
0.582
EDG-MED-9fc99cca-1
0.576
LUO-POS-74179f4f-1
0.575
EDJ-MED-0186a59b-6
0.575
LUO-POS-edefcc0e-1
0.575
EDJ-MED-e69ed63d-9
0.575
EDG-MED-e300b289-3
0.568
MAT-POS-2e8b2191-10
0.567
EDJ-MED-d9f3798e-1
0.565
EDJ-MED-0186a59b-7
0.563
MAT-POS-2e8b2191-12
0.563
MAT-POS-a54ce14d-3
0.561
MAT-POS-acfe5bae-2
0.561
EDJ-MED-015fb6b4-2
0.561
MAT-POS-a54ce14d-2
0.561
EDJ-MED-e69ed63d-2
0.557
EDJ-MED-d165ed91-4
0.554
EDJ-MED-c99b2211-4
0.554
EDJ-MED-e69ed63d-12
0.554
PET-UNK-f860268d-2
0.554
PET-UNK-f860268d-5
0.554
PET-UNK-3324058f-4
0.551
PET-UNK-3324058f-8
0.551
EDJ-MED-43f8f7d6-3
0.551
RAL-THA-a9c31980-3
0.551
JOH-UNI-6b98e24c-1
0.551
EDJ-MED-e69ed63d-8
0.549
EDJ-MED-e69ed63d-16
0.548
EDG-MED-e300b289-2
0.546
MAT-POS-13080fc6-2
0.545
EDG-MED-e300b289-1
0.542
LUO-POS-868e8996-3
0.542
LUO-POS-868e8996-4
0.542
RAL-THA-a9c31980-1
0.542
RAL-THA-a9c31980-4
0.542
EDJ-MED-c99b2211-2
0.542
MAT-POS-b4d6b7fc-4
0.540
PET-UNK-c7ac4d9e-1
0.538
PET-UNK-c7ac4d9e-2
0.538
MAT-POS-c7726e07-1
0.538
MAT-POS-e119ab4f-1
0.538
EDJ-MED-0186a59b-5
0.538
MAT-POS-c7726e07-2
0.538
EDJ-MED-c99b2211-3
0.536
JOH-UNI-d2a12aa9-1
0.536
EDJ-MED-e69ed63d-14
0.536
RAL-THA-a9c31980-5
0.533
EDJ-MED-e69ed63d-1
0.533
EDJ-MED-c99b2211-1
0.529
JOH-UNI-d2a12aa9-3
0.528
EDJ-MED-e69ed63d-18
0.528
RAL-THA-5e0a6f1a-1
0.525
EDJ-MED-e69ed63d-7
0.525
EDJ-MED-e69ed63d-11
0.525
EDJ-MED-eb111c00-4
0.521
RAL-THA-a9c31980-6
0.521
EDJ-MED-41558c53-7
0.517
ALP-POS-b3e0acc5-1
0.517
MAT-POS-13080fc6-4
0.516
EDJ-MED-d9f3798e-3
0.513
PET-UNK-329a9ce9-1
0.513
RAL-THA-a9c31980-8
0.512
EDJ-MED-e69ed63d-15
0.512
EDJ-MED-e69ed63d-13
0.512
RAL-THA-a9c31980-9
0.508
EDJ-MED-378a25ea-26
0.508
MAT-POS-e36d57d9-1
0.508
MAT-POS-2e8b2191-9
0.508
EDJ-MED-41558c53-11
0.504
EDJ-MED-75baa495-3
0.504
EDJ-MED-e69ed63d-17
0.500
EDJ-MED-41558c53-12
0.496