MMsINC Database Search


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MMsINC code: MMs02355037

Type: Neutral
Formula: C₁₀H₁₂FNO₃

SMILES:

Fc1cc(OC)c(NC(OCC)=O)cc1

InChI:

InChI=1/C10H12FNO3/c1-3-15-10(13)12-8-5-4-7(11)6-9(8)14-2/h4-6H,3H2,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.6043 kcal/mol

Physical Properties
Molecular Weight: 213.208 g/mol	logS: -2.33636	SlogP: 2.4027	Reactive groups: 0

Topological Properties
Globularity: 0.0255469	Sterimol/B1: 2.55758	Sterimol/B2: 2.81117	Sterimol/B3: 4.32292
Sterimol/B4: 5.6277	Sterimol/L: 13.4026

Surface and Volume Properties
Accessible surface: 430.667	Positive charged surface: 296.016	Negative charged surface: 134.651	Volume: 194.25
Hydrophobic surface: 339.429	Hydrophilic surface: 91.238

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.