MMsINC Database Search


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MMsINC code: MMs01330497

Type: Neutral
Formula: C₁₅H₁₃FO₄

SMILES:

Fc1ccc(cc1)C(=O)COC(=O)c1cc(oc1C)C

InChI:

InChI=1/C15H13FO4/c1-9-7-13(10(2)20-9)15(18)19-8-14(17)11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.4842 kcal/mol

Physical Properties
Molecular Weight: 276.263 g/mol	logS: -4.38627	SlogP: 3.07524	Reactive groups: 0

Topological Properties
Globularity: 0.00805905	Sterimol/B1: 2.32318	Sterimol/B2: 2.51182	Sterimol/B3: 2.512
Sterimol/B4: 6.74794	Sterimol/L: 16.8966

Surface and Volume Properties
Accessible surface: 514.655	Positive charged surface: 269.745	Negative charged surface: 244.91	Volume: 255.5
Hydrophobic surface: 436.034	Hydrophilic surface: 78.621

Pharmacophoric Properties
Hydrogen bond donors: 0	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.