MMsINC Database Search


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MMsINC code: MMs02861990

Type: Neutral
Formula: C₁₅H₁₃FO₂

SMILES:

Fc1ccccc1-c1ccc(cc1)C(C(O)=O)C

InChI:

InChI=1/C15H13FO2/c1-10(15(17)18)11-6-8-12(9-7-11)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,17,18)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.8618 kcal/mol

Physical Properties
Molecular Weight: 244.265 g/mol	logS: -4.33888	SlogP: 3.6808	Reactive groups: 0

Topological Properties
Globularity: 0.073769	Sterimol/B1: 2.47223	Sterimol/B2: 2.66151	Sterimol/B3: 4.6007
Sterimol/B4: 4.87856	Sterimol/L: 14.7501

Surface and Volume Properties
Accessible surface: 461.786	Positive charged surface: 252.661	Negative charged surface: 203.874	Volume: 232.5
Hydrophobic surface: 355.976	Hydrophilic surface: 105.81

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02861991
PUBCHEM-ZINC02037478