MMsINC Database Search


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MMsINC code: MMs02352985

Type: Neutral
Formula: C₁₁H₉FO

SMILES:

Fc1cc2c(cc1CO)cccc2

InChI:

InChI=1/C11H9FO/c12-11-6-9-4-2-1-3-8(9)5-10(11)7-13/h1-6,13H,7H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.6777 kcal/mol

Physical Properties
Molecular Weight: 176.19 g/mol	logS: -3.32876	SlogP: 2.7376	Reactive groups: 0

Topological Properties
Globularity: 0.0108102	Sterimol/B1: 2.37385	Sterimol/B2: 2.37626	Sterimol/B3: 2.81488
Sterimol/B4: 5.63809	Sterimol/L: 11.4424

Surface and Volume Properties
Accessible surface: 366.291	Positive charged surface: 198.271	Negative charged surface: 156.949	Volume: 166.875
Hydrophobic surface: 309.352	Hydrophilic surface: 56.939

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.