MMsINC Database Search


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MMsINC code: MMs02550401

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1cc(ccc1)C(O)c1ccccc1

InChI:

InChI=1/C13H11FO/c14-12-8-4-7-11(9-12)13(15)10-5-2-1-3-6-10/h1-9,13,15H/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.9856 kcal/mol

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

Topological Properties
Globularity: 0.178644	Sterimol/B1: 2.11492	Sterimol/B2: 3.72912	Sterimol/B3: 3.77746
Sterimol/B4: 5.13579	Sterimol/L: 11.7089

Surface and Volume Properties
Accessible surface: 397.489	Positive charged surface: 192.55	Negative charged surface: 204.94	Volume: 198.125
Hydrophobic surface: 359.389	Hydrophilic surface: 38.1

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.