MMsINC Database Search


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MMsINC code: MMs00585509

Type: Neutral
Formula: C₁₅H₁₁FO₄

SMILES:

Fc1ccc(cc1)C(Oc1ccc(cc1)C(OC)=O)=O

InChI:

InChI=1/C15H11FO4/c1-19-14(17)10-4-8-13(9-5-10)20-15(18)11-2-6-12(16)7-3-11/h2-9H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1941 kcal/mol

Physical Properties
Molecular Weight: 274.247 g/mol	logS: -4.17565	SlogP: 2.8315	Reactive groups: 0

Topological Properties
Globularity: 0.0370386	Sterimol/B1: 2.47938	Sterimol/B2: 3.41504	Sterimol/B3: 3.46794
Sterimol/B4: 3.58481	Sterimol/L: 17.6291

Surface and Volume Properties
Accessible surface: 500.121	Positive charged surface: 284.835	Negative charged surface: 215.286	Volume: 245.75
Hydrophobic surface: 429.827	Hydrophilic surface: 70.294

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.