MMsINC Database Search


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MMsINC code: MMs02867899

Type: Neutral
Formula: C₁₂H₁₀FNO₃S

SMILES:

S(Oc1ncc(cc1)C)(=O)(=O)c1ccc(F)cc1

InChI:

InChI=1/C12H10FNO3S/c1-9-2-7-12(14-8-9)17-18(15,16)11-5-3-10(13)4-6-11/h2-8H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.114 kcal/mol

Physical Properties
Molecular Weight: 267.28 g/mol	logS: -2.99078	SlogP: 2.29682	Reactive groups: 0

Topological Properties
Globularity: 0.0719	Sterimol/B1: 2.86945	Sterimol/B2: 2.90641	Sterimol/B3: 3.44092
Sterimol/B4: 6.42747	Sterimol/L: 12.635

Surface and Volume Properties
Accessible surface: 439.089	Positive charged surface: 218.405	Negative charged surface: 220.684	Volume: 220.375
Hydrophobic surface: 353.051	Hydrophilic surface: 86.038

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.