MMsINC Database Search


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MMsINC code: MMs02223920

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1ccc(cc1)Cc1ccccc1O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.6177 kcal/mol

Physical Properties
Molecular Weight: 202.228 g/mol	logS: -3.12084	SlogP: 3.12207	Reactive groups: 0

Topological Properties
Globularity: 0.151777	Sterimol/B1: 2.48565	Sterimol/B2: 2.63822	Sterimol/B3: 4.22977
Sterimol/B4: 5.28177	Sterimol/L: 11.9477

Surface and Volume Properties
Accessible surface: 399.22	Positive charged surface: 211.816	Negative charged surface: 187.403	Volume: 199
Hydrophobic surface: 368.536	Hydrophilic surface: 30.684

Pharmacophoric Properties
Hydrogen bond donors: 1	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.