MMsINC Database Search


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MMsINC code: MMs00881184

Type: Neutral
Formula: C₁₇H₁₁FO₄

SMILES:

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

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.8872 kcal/mol

Physical Properties
Molecular Weight: 298.269 g/mol	logS: -5.57973	SlogP: 3.5895	Reactive groups: 0

Topological Properties
Globularity: 0.0126256	Sterimol/B1: 2.50484	Sterimol/B2: 2.74803	Sterimol/B3: 2.75785
Sterimol/B4: 6.29558	Sterimol/L: 17.5976

Surface and Volume Properties
Accessible surface: 513.689	Positive charged surface: 268.847	Negative charged surface: 238.755	Volume: 263
Hydrophobic surface: 427.48	Hydrophilic surface: 86.209

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.