MMsINC Database Search


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MMsINC code: MMs03950745

Type: Ionized
Formula: C₁₄H₁₀FO₂-

SMILES:

Fc1ccc(cc1C)-c1ccc(cc1)C(=O)[O-]

InChI:

InChI=1/C14H11FO2/c1-9-8-12(6-7-13(9)15)10-2-4-11(5-3-10)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)=51.7741 kcal/mol

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

Topological Properties
Globularity: 0.0484122	Sterimol/B1: 2.23103	Sterimol/B2: 2.24494	Sterimol/B3: 3.31736
Sterimol/B4: 5.82146	Sterimol/L: 13.8703

Surface and Volume Properties
Accessible surface: 436.472	Positive charged surface: 204.653	Negative charged surface: 226.711	Volume: 216
Hydrophobic surface: 346.5	Hydrophilic surface: 89.972

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:

MMs03950744
TYGER-ZINC04204253