Molecular Properties | |
SMILES: | CCc1ccc2c(NC(=O)C3(C)CN(CC(=O)NC)S(=O)(=O)c4ccc(Cl)cc43)cncc2c1 |
MW: | 500.13 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 108.47 |
cLogP: | 3.1 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDJ-MED-c3ea9889-2
0.826
EDJ-MED-3bfd841e-1
0.776
EDJ-MED-c3ea9889-3
0.760
MAT-POS-e119ab4f-5
0.742
LUO-POS-868e8996-1
0.742
MIK-ENA-d22671f7-1
0.742
MIK-ENA-f5fe7855-1
0.742
MIK-ENA-e76e31f3-1
0.742
LUO-POS-868e8996-2
0.742
EDJ-MED-c3ea9889-4
0.644
MAT-POS-666635d5-1
0.644
EDJ-MED-dac03e7f-6
0.636
EDJ-MED-dac03e7f-5
0.631
EDJ-MED-dac03e7f-8
0.631
EDJ-MED-dac03e7f-2
0.625
EDJ-MED-dac03e7f-7
0.625
EDJ-MED-dac03e7f-1
0.619
EDJ-MED-dac03e7f-3
0.614
EDJ-MED-dac03e7f-4
0.614
PET-UNK-5ad1c31a-12
0.613
LUO-POS-c9faae85-1
0.613
PET-UNK-5ad1c31a-6
0.613
MAT-POS-83f73d0a-4
0.612
EDJ-MED-b2a1399d-4
0.595
EDG-MED-b8f93667-5
0.586
EDG-MED-b8f93667-6
0.586
PET-UNK-5ad1c31a-5
0.583
PET-UNK-5ad1c31a-11
0.583
EDG-MED-b8f93667-1
0.580
EDG-MED-b8f93667-8
0.580
EDG-MED-b8f93667-7
0.580
MAT-POS-c88128cb-4
0.574
EDG-MED-b8f93667-2
0.570
LUO-POS-66f38ea0-1
0.569
MAT-POS-c88128cb-5
0.569
LUO-POS-3b937086-1
0.568
MAT-POS-c88128cb-8
0.568
EDJ-MED-b2a1399d-3
0.560
LUO-POS-e3baa4d7-1
0.559
MAT-POS-c88128cb-6
0.559
MAT-POS-c88128cb-3
0.559
EDG-MED-b8f93667-3
0.551
MAT-POS-c88128cb-7
0.544
MAT-POS-c88128cb-9
0.543
EDG-MED-b8f93667-4
0.541
EDJ-MED-b2a1399d-2
0.535
MAT-POS-83f73d0a-3
0.533
MIC-UNK-54748b58-2
0.531
EDJ-MED-b2a1399d-1
0.530
MAT-POS-c88128cb-10
0.530
MAT-POS-c88128cb-13
0.460
EDJ-MED-70ab3faf-2
0.456
PET-UNK-6e612674-6
0.455
MAT-POS-89bd6af1-3
0.455
MAT-UNK-28cf4d29-1
0.455
PET-UNK-6e612674-14
0.455
ALP-POS-e266d783-2
0.455
MAT-POS-c88128cb-14
0.452
ALP-POS-1cbc2fae-1
0.450
MAT-POS-806462de-1
0.450
MAT-POS-806462de-2
0.450
EDJ-MED-70ab3faf-3
0.449
EDJ-MED-70ab3faf-1
0.441
PET-UNK-5ad1c31a-10
0.438
PET-UNK-5ad1c31a-4
0.438
PET-UNK-6e612674-5
0.432
PET-UNK-6e612674-13
0.432
ALP-POS-e266d783-1
0.429
EDJ-MED-43f8f7d6-5
0.429
MAT-POS-853c0ffa-2
0.429
LUO-POS-868e8996-5
0.429
LUO-POS-868e8996-6
0.429
PET-UNK-6e612674-8
0.426
PET-UNK-6e612674-16
0.426
PET-UNK-5ad1c31a-9
0.426
PET-UNK-5ad1c31a-3
0.426
PET-UNK-6e612674-7
0.425
PET-UNK-6e612674-15
0.425
ALP-POS-4483ae88-2
0.411
PET-UNK-1abb40f2-4
0.410
PET-UNK-1abb40f2-2
0.410
MIC-UNK-54748b58-1
0.408
ALP-POS-1cbc2fae-2
0.405
RAL-THA-a9c31980-7
0.403
MAT-POS-c88128cb-12
0.402
JOH-UNI-06d7cc04-1
0.400
PET-UNK-6e612674-2
0.400
PET-UNK-6e612674-10
0.400
MAT-POS-a334828f-3
0.395
PET-UNK-b78139fa-14
0.393
MAT-POS-c88128cb-11
0.388
MIC-UNK-54748b58-4
0.387
EDJ-MED-4f4dd660-3
0.382
PET-UNK-407a74a5-16
0.381
ALF-EVA-0b412456-4
0.380
PET-UNK-4b4f2bb7-5
0.380
ALP-POS-6f6ae286-2
0.380
PET-UNK-6e612674-9
0.380
PET-UNK-6e612674-1
0.380
PET-UNK-6e612674-4
0.379