MMsINC Database Search


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MMsINC code: MMs01503189

Type: Neutral
Formula: C₁₄H₁₀F₂O₄S

SMILES:

S(=O)(=O)(C(F)F)c1ccc(cc1)C(Oc1ccccc1)=O

InChI:

InChI=1/C14H10F2O4S/c15-14(16)21(18,19)12-8-6-10(7-9-12)13(17)20-11-4-2-1-3-5-11/h1-9,14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.5875 kcal/mol

Physical Properties
Molecular Weight: 312.292 g/mol	logS: -3.7235	SlogP: 3.322	Reactive groups: 0

Topological Properties
Globularity: 0.0523847	Sterimol/B1: 3.29055	Sterimol/B2: 3.49622	Sterimol/B3: 3.61561
Sterimol/B4: 3.83715	Sterimol/L: 16.5575

Surface and Volume Properties
Accessible surface: 503.983	Positive charged surface: 219.714	Negative charged surface: 284.268	Volume: 253
Hydrophobic surface: 338.46	Hydrophilic surface: 165.523

Pharmacophoric Properties
Hydrogen bond donors: 0	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.