MMsINC Database Search


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MMsINC code: MMs01611998

Type: Neutral
Formula: C₁₇H₁₅FO₅

SMILES:

Fc1cc(ccc1OC)C(=O)COC(=O)c1ccc(cc1O)C

InChI:

InChI=1/C17H15FO5/c1-10-3-5-12(14(19)7-10)17(21)23-9-15(20)11-4-6-16(22-2)13(18)8-11/h3-8,19H,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.8273 kcal/mol

Physical Properties
Molecular Weight: 318.3 g/mol	logS: -4.32319	SlogP: 2.88802	Reactive groups: 0

Topological Properties
Globularity: 0.00548167	Sterimol/B1: 2.43217	Sterimol/B2: 2.5082	Sterimol/B3: 2.92783
Sterimol/B4: 5.46719	Sterimol/L: 19.813

Surface and Volume Properties
Accessible surface: 564.789	Positive charged surface: 340.431	Negative charged surface: 224.359	Volume: 288.25
Hydrophobic surface: 444.514	Hydrophilic surface: 120.275

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.