MMsINC Database Search


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MMsINC code: MMs03709253

Type: Neutral
Formula: C₁₄H₁₃F₂NO₃S

SMILES:

S(=O)(=O)(NCc1ccc(OC)cc1)c1ccc(F)cc1F

InChI:

InChI=1/C14H13F2NO3S/c1-20-12-5-2-10(3-6-12)9-17-21(18,19)14-7-4-11(15)8-13(14)16/h2-8,17H,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.3979 kcal/mol

Physical Properties
Molecular Weight: 313.324 g/mol	logS: -3.6311	SlogP: 2.7183	Reactive groups: 0

Topological Properties
Globularity: 0.0650763	Sterimol/B1: 3.17998	Sterimol/B2: 3.54653	Sterimol/B3: 3.75212
Sterimol/B4: 4.5419	Sterimol/L: 16.548

Surface and Volume Properties
Accessible surface: 511.543	Positive charged surface: 268.214	Negative charged surface: 243.328	Volume: 260.25
Hydrophobic surface: 417.732	Hydrophilic surface: 93.811

Pharmacophoric Properties
Hydrogen bond donors: 1	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.