MMsINC Database Search


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MMsINC code: MMs01349659

Type: Neutral
Formula: C₁₄H₁₀ClFO₃

SMILES:

Clc1cccc(F)c1COC(=O)c1ccc(O)cc1

InChI:

InChI=1/C14H10ClFO3/c15-12-2-1-3-13(16)11(12)8-19-14(18)9-4-6-10(17)7-5-9/h1-7,17H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=47.1953 kcal/mol

Physical Properties
Molecular Weight: 280.682 g/mol	logS: -4.20183	SlogP: 3.8081	Reactive groups: 0

Topological Properties
Globularity: 0.0766505	Sterimol/B1: 3.01949	Sterimol/B2: 3.96102	Sterimol/B3: 4.62245
Sterimol/B4: 5.34442	Sterimol/L: 14.7469

Surface and Volume Properties
Accessible surface: 485.018	Positive charged surface: 228.811	Negative charged surface: 256.207	Volume: 240.875
Hydrophobic surface: 394.041	Hydrophilic surface: 90.977

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.