MMsINC Database Search


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MMsINC code: MMs03000427

Type: Neutral
Formula: C₁₂H₁₀FNO₂S

SMILES:

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

InChI:

InChI=1/C12H10FNO2S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.628 kcal/mol

Physical Properties
Molecular Weight: 251.281 g/mol	logS: -3.36529	SlogP: 2.2407	Reactive groups: 0

Topological Properties
Globularity: 0.148356	Sterimol/B1: 2.42101	Sterimol/B2: 3.47772	Sterimol/B3: 4.44196
Sterimol/B4: 4.82637	Sterimol/L: 12.8996

Surface and Volume Properties
Accessible surface: 432.666	Positive charged surface: 202.04	Negative charged surface: 230.627	Volume: 213.125
Hydrophobic surface: 313.008	Hydrophilic surface: 119.658

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.