MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02339189

Type: Neutral
Formula: C₁₄H₁₁FO₂

SMILES:

Fc1cc(ccc1O)C(=O)Cc1ccccc1

InChI:

InChI=1/C14H11FO2/c15-12-9-11(6-7-13(12)16)14(17)8-10-4-2-1-3-5-10/h1-7,9,16H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.4614 kcal/mol

Physical Properties
Molecular Weight: 230.238 g/mol	logS: -3.45219	SlogP: 2.95667	Reactive groups: 0

Topological Properties
Globularity: 0.0764873	Sterimol/B1: 3.57052	Sterimol/B2: 3.61348	Sterimol/B3: 3.67128
Sterimol/B4: 4.14099	Sterimol/L: 14.8588

Surface and Volume Properties
Accessible surface: 439.609	Positive charged surface: 232.839	Negative charged surface: 206.771	Volume: 217.75
Hydrophobic surface: 364.049	Hydrophilic surface: 75.56

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.