MMsINC Database Search


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MMsINC code: MMs02572675

Type: Neutral
Formula: C₁₄H₁₀ClFO₂

SMILES:

Clc1ccccc1COC(=O)c1ccccc1F

InChI:

InChI=1/C14H10ClFO2/c15-12-7-3-1-5-10(12)9-18-14(17)11-6-2-4-8-13(11)16/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.846 kcal/mol

Physical Properties
Molecular Weight: 264.683 g/mol	logS: -4.56378	SlogP: 4.1025	Reactive groups: 0

Topological Properties
Globularity: 0.00441359	Sterimol/B1: 2.37167	Sterimol/B2: 2.37842	Sterimol/B3: 2.55717
Sterimol/B4: 6.51534	Sterimol/L: 14.5531

Surface and Volume Properties
Accessible surface: 466.856	Positive charged surface: 205.274	Negative charged surface: 261.583	Volume: 234.125
Hydrophobic surface: 429.445	Hydrophilic surface: 37.411

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.