MMsINC Database Search


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MMsINC code: MMs00052420

Type: Neutral
Formula: C₁₃H₁₁FO

SMILES:

Fc1ccc(OCc2ccccc2)cc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.0898 kcal/mol

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

Topological Properties
Globularity: 0.0884551	Sterimol/B1: 3.56739	Sterimol/B2: 3.61676	Sterimol/B3: 3.62369
Sterimol/B4: 3.93225	Sterimol/L: 14.4011

Surface and Volume Properties
Accessible surface: 424.127	Positive charged surface: 219.11	Negative charged surface: 205.017	Volume: 200.5
Hydrophobic surface: 414.751	Hydrophilic surface: 9.376

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.