MMsINC Database Search


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MMsINC code: MMs03950753

Type: Ionized
Formula: C₁₄H₁₀FO₂-

SMILES:

Fc1cc(ccc1C)-c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H11FO2/c1-9-2-3-12(8-13(9)15)10-4-6-11(7-5-10)14(16)17/h2-8H,1H3,(H,16,17)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.892 kcal/mol

Physical Properties
Molecular Weight: 229.23 g/mol	logS: -4.49656	SlogP: 2.16462	Reactive groups: 0

Topological Properties
Globularity: 0.0366349	Sterimol/B1: 2.6376	Sterimol/B2: 2.66502	Sterimol/B3: 3.45123
Sterimol/B4: 3.58007	Sterimol/L: 14.5238

Surface and Volume Properties
Accessible surface: 440.706	Positive charged surface: 207.595	Negative charged surface: 228.328	Volume: 214.75
Hydrophobic surface: 350.964	Hydrophilic surface: 89.742

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	Acid groups: 2	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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Parent related molecule:

MMs03950752
TYGER-ZINC04204259