MMsINC Database Search


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MMsINC code: MMs00000529

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1ccc(cc1)C(O)c1ccccc1

InChI:

InChI=1/C13H11FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9,13,15H/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.968 kcal/mol

Physical Properties
Molecular Weight: 202.228 g/mol	logS: -3.21878	SlogP: 3.0029	Reactive groups: 0

Topological Properties
Globularity: 0.179606	Sterimol/B1: 2.22637	Sterimol/B2: 3.63579	Sterimol/B3: 3.65739
Sterimol/B4: 5.12438	Sterimol/L: 11.9437

Surface and Volume Properties
Accessible surface: 401.324	Positive charged surface: 193.232	Negative charged surface: 208.092	Volume: 199.375
Hydrophobic surface: 362.996	Hydrophilic surface: 38.328

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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: no related molecules available.