Molecular Properties | |
SMILES: | CNC(=O)C(C)(C)N1CC(C)(C(=O)Nc2cncc3cc(S(C)(=O)=O)ccc23)c2cc(Cl)ccc2S1(=O)=O |
MW: | 578.11 |
Fraction sp3: | 0.32 |
HBA: | 7 |
HBD: | 2 |
Rotatable Bonds: | 5 |
TPSA: | 142.61 |
cLogP: | 2.72 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Activated haloaromatics
EDG-MED-b8f93667-4
0.735
EDJ-MED-b2a1399d-2
0.718
EDJ-MED-c3ea9889-3
0.712
EDG-MED-b8f93667-8
0.689
EDG-MED-b8f93667-6
0.679
EDG-MED-b8f93667-2
0.661
EDJ-MED-dac03e7f-4
0.646
EDJ-MED-dac03e7f-2
0.643
EDJ-MED-dac03e7f-1
0.637
EDJ-MED-dac03e7f-3
0.632
EDJ-MED-70ab3faf-2
0.615
MAT-POS-c88128cb-14
0.610
PET-UNK-6e612674-7
0.587
PET-UNK-6e612674-15
0.587
EDJ-MED-c3ea9889-2
0.560
EDG-MED-b8f93667-3
0.541
EDJ-MED-c3ea9889-1
0.530
EDJ-MED-3bfd841e-1
0.530
EDG-MED-b8f93667-7
0.530
PET-UNK-6e612674-3
0.527
PET-UNK-6e612674-11
0.527
EDJ-MED-211392e3-2
0.522
EDG-MED-b8f93667-5
0.521
LUO-POS-c9faae85-1
0.518
MAT-POS-83f73d0a-3
0.509
LUO-POS-3b937086-1
0.504
MAT-POS-c88128cb-8
0.504
MAT-POS-e119ab4f-5
0.500
LUO-POS-868e8996-1
0.500
MIK-ENA-d22671f7-1
0.500
MIK-ENA-f5fe7855-1
0.500
MIK-ENA-e76e31f3-1
0.500
LUO-POS-868e8996-2
0.500
EDG-MED-b8f93667-1
0.492
MAT-POS-c88128cb-5
0.491
LUO-POS-66f38ea0-1
0.491
EDJ-MED-dac03e7f-8
0.488
MAT-POS-83f73d0a-4
0.487
EDJ-MED-dac03e7f-6
0.480
PET-UNK-5ad1c31a-12
0.479
PET-UNK-5ad1c31a-5
0.479
PET-UNK-5ad1c31a-6
0.479
PET-UNK-5ad1c31a-11
0.479
EDJ-MED-dac03e7f-5
0.476
EDJ-MED-dac03e7f-7
0.472
MAT-POS-c88128cb-9
0.472
MAT-POS-c88128cb-7
0.471
MAT-POS-c88128cb-4
0.470
EDJ-MED-70ab3faf-3
0.466
EDJ-MED-c3ea9889-5
0.461
MAT-POS-c88128cb-10
0.460
MAT-POS-c88128cb-3
0.458
EDJ-MED-d165ed91-1
0.458
EDJ-MED-41558c53-2
0.458
LUO-POS-e3baa4d7-1
0.458
MAT-POS-c88128cb-6
0.458
PET-UNK-6e612674-8
0.455
PET-UNK-6e612674-16
0.455
EDJ-MED-93390d0c-2
0.452
EDJ-MED-f9b78f78-1
0.447
PET-UNK-6e612674-6
0.447
PET-UNK-6e612674-14
0.447
MAT-POS-c88128cb-13
0.440
EDJ-MED-b2a1399d-4
0.432
EDJ-MED-841e0cf0-4
0.427
EDJ-MED-670ad2ee-4
0.427
PET-UNK-6e612674-5
0.425
PET-UNK-6e612674-13
0.425
EDJ-MED-d165ed91-2
0.421
EDJ-MED-41558c53-4
0.421
EDG-MED-ee636701-1
0.419
EDJ-MED-b2a1399d-3
0.419
EDJ-MED-6bf93aa8-1
0.418
EDJ-MED-c3ea9889-4
0.418
MAT-POS-666635d5-1
0.418
ALP-POS-1cbc2fae-1
0.417
MAT-POS-806462de-1
0.417
MAT-POS-806462de-2
0.417
EDG-MED-10fcb19e-4
0.417
EDJ-MED-93390d0c-3
0.413
EDG-MED-9fc99cca-3
0.410
EDJ-MED-70ab3faf-1
0.409
EDJ-MED-ede277f6-12
0.408
PET-UNK-6e612674-4
0.407
PET-UNK-6e612674-12
0.407
EDJ-MED-0186a59b-7
0.405
EDJ-MED-0186a59b-3
0.405
EDJ-MED-7889e8da-5
0.405
MAT-POS-2e8b2191-12
0.405
EDJ-MED-41558c53-12
0.400
EDJ-MED-d165ed91-4
0.398
EDJ-MED-c99b2211-4
0.398
EDJ-MED-e69ed63d-12
0.398
MIC-UNK-7f86385f-4
0.398
EDJ-MED-41558c53-8
0.398
MAT-POS-7ddaf7de-2
0.398
ERI-UCB-8d4e5055-3
0.398
EDJ-MED-211392e3-3
0.397
EDJ-MED-41558c53-10
0.395
MAT-POS-c88128cb-11
0.393