MMsINC Database Search


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MMsINC code: MMs02875233

Type: Neutral
Formula: C₁₅H₁₁FO₃

SMILES:

Fc1ccccc1-c1ccccc1CC(=O)C(O)=O

InChI:

InChI=1/C15H11FO3/c16-13-8-4-3-7-12(13)11-6-2-1-5-10(11)9-14(17)15(18)19/h1-8H,9H2,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.1646 kcal/mol

Physical Properties
Molecular Weight: 258.248 g/mol	logS: -4.46846	SlogP: 2.68887	Reactive groups: 0

Topological Properties
Globularity: 0.231369	Sterimol/B1: 3.51406	Sterimol/B2: 3.94469	Sterimol/B3: 4.10773
Sterimol/B4: 5.9443	Sterimol/L: 11.8683

Surface and Volume Properties
Accessible surface: 456.918	Positive charged surface: 233.748	Negative charged surface: 222.072	Volume: 234
Hydrophobic surface: 333.286	Hydrophilic surface: 123.632

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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

MMs02875234
PUBCHEM-ZINC02136091