MMsINC Database Search


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MMsINC code: MMs02714001

Type: Neutral
Formula: C₁₃H₉F₂NO₃S

SMILES:

S(=O)(=O)(NC(=O)c1ccc(F)cc1)c1ccc(F)cc1

InChI:

InChI=1/C13H9F2NO3S/c14-10-3-1-9(2-4-10)13(17)16-20(18,19)12-7-5-11(15)6-8-12/h1-8H,(H,16,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=18.7074 kcal/mol

Physical Properties
Molecular Weight: 297.281 g/mol	logS: -4.16792	SlogP: 2.0835	Reactive groups: 0

Topological Properties
Globularity: 0.118672	Sterimol/B1: 2.76979	Sterimol/B2: 4.11865	Sterimol/B3: 4.18633
Sterimol/B4: 5.99927	Sterimol/L: 13.8997

Surface and Volume Properties
Accessible surface: 468.525	Positive charged surface: 191.036	Negative charged surface: 277.488	Volume: 236.5
Hydrophobic surface: 374.894	Hydrophilic surface: 93.631

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.