MMsINC Database Search


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MMsINC code: MMs00497216

Type: Neutral
Formula: C₁₇H₁₁FO₄

SMILES:

Fc1ccc(cc1)C(=O)c1c2cc(OC(=O)C)ccc2oc1

InChI:

InChI=1/C17H11FO4/c1-10(19)22-13-6-7-16-14(8-13)15(9-21-16)17(20)11-2-4-12(18)5-3-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.779 kcal/mol

Physical Properties
Molecular Weight: 298.269 g/mol	logS: -5.55152	SlogP: 3.7282	Reactive groups: 0

Topological Properties
Globularity: 0.0303001	Sterimol/B1: 2.45965	Sterimol/B2: 2.73988	Sterimol/B3: 3.22077
Sterimol/B4: 6.94906	Sterimol/L: 16.6987

Surface and Volume Properties
Accessible surface: 513.726	Positive charged surface: 243.28	Negative charged surface: 264.78	Volume: 264
Hydrophobic surface: 426.552	Hydrophilic surface: 87.174

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.