MMsINC Database Search


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MMsINC code: MMs02862866

Type: Neutral
Formula: C₉H₁₀FNO₂

SMILES:

FCC(=O)Nc1ccc(OC)cc1

InChI:

InChI=1/C9H10FNO2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.7347 kcal/mol

Physical Properties
Molecular Weight: 183.182 g/mol	logS: -1.96104	SlogP: 1.6032	Reactive groups: 1

Topological Properties
Globularity: 0.023181	Sterimol/B1: 2.47079	Sterimol/B2: 2.59655	Sterimol/B3: 3.5991
Sterimol/B4: 4.14723	Sterimol/L: 13.4622

Surface and Volume Properties
Accessible surface: 378.066	Positive charged surface: 247.909	Negative charged surface: 130.157	Volume: 168.125
Hydrophobic surface: 263.771	Hydrophilic surface: 114.295

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.