MMsINC Database Search


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MMsINC code: MMs02543020

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1ccc(cc1)COc1ccccc1

InChI:

InChI=1/C13H11FO/c14-12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h1-9H,10H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2068 kcal/mol

Physical Properties
Molecular Weight: 202.228 g/mol	logS: -3.49814	SlogP: 3.6711	Reactive groups: 0

Topological Properties
Globularity: 0.0885742	Sterimol/B1: 3.586	Sterimol/B2: 3.6203	Sterimol/B3: 3.62149
Sterimol/B4: 3.91027	Sterimol/L: 14.3961

Surface and Volume Properties
Accessible surface: 428.693	Positive charged surface: 220.828	Negative charged surface: 207.864	Volume: 199
Hydrophobic surface: 418.16	Hydrophilic surface: 10.533

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: no related molecules available.