MMsINC Database Search


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MMsINC code: MMs02532624

Type: Neutral
Formula: C₂₀H₂₀F₂N₂O₄S

SMILES:

S(=O)(=O)(CCC(=O)Nc1cc(F)c(F)cc1)c1cc2CCN(c2cc1)C(=O)CC

InChI:

InChI=1/C20H20F2N2O4S/c1-2-20(26)24-9-7-13-11-15(4-6-18(13)24)29(27,28)10-8-19(25)23-14-3-5-16(21)17(22)12-14/h3-6,11-12H,2,7-10H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0535 kcal/mol

Physical Properties
Molecular Weight: 422.452 g/mol	logS: -4.48298	SlogP: 3.06637	Reactive groups: 0

Topological Properties
Globularity: 0.0589021	Sterimol/B1: 2.66017	Sterimol/B2: 2.74515	Sterimol/B3: 5.72103
Sterimol/B4: 7.21656	Sterimol/L: 21.2109

Surface and Volume Properties
Accessible surface: 677.777	Positive charged surface: 386.062	Negative charged surface: 291.715	Volume: 360.625
Hydrophobic surface: 528.942	Hydrophilic surface: 148.835

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.