MMsINC Database Search


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MMsINC code: MMs00427032

Type: Neutral
Formula: C₁₄H₁₂F₂N₂O₃S

SMILES:

S(=O)(=O)(NC(=O)Nc1cc(F)c(F)cc1)c1ccc(cc1)C

InChI:

InChI=1/C14H12F2N2O3S/c1-9-2-5-11(6-3-9)22(20,21)18-14(19)17-10-4-7-12(15)13(16)8-10/h2-8H,1H3,(H2,17,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.36079 kcal/mol

Physical Properties
Molecular Weight: 326.323 g/mol	logS: -4.53902	SlogP: 2.78362	Reactive groups: 0

Topological Properties
Globularity: 0.126928	Sterimol/B1: 2.35928	Sterimol/B2: 3.42826	Sterimol/B3: 4.35662
Sterimol/B4: 7.8944	Sterimol/L: 14.0508

Surface and Volume Properties
Accessible surface: 520.836	Positive charged surface: 250.387	Negative charged surface: 270.449	Volume: 264.125
Hydrophobic surface: 403.842	Hydrophilic surface: 116.994

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.