MMsINC Database Search


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MMsINC code: MMs00045464

Type: Neutral
Formula: C₁₀H₁₀F₂O

SMILES:

Fc1cccc(F)c1C(=O)CCC

InChI:

InChI=1/C10H10F2O/c1-2-4-9(13)10-7(11)5-3-6-8(10)12/h3,5-6H,2,4H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.4921 kcal/mol

Physical Properties
Molecular Weight: 184.185 g/mol	logS: -3.0041	SlogP: 2.9476	Reactive groups: 0

Topological Properties
Globularity: 0.0247552	Sterimol/B1: 2.37545	Sterimol/B2: 2.37625	Sterimol/B3: 3.56328
Sterimol/B4: 4.53003	Sterimol/L: 12.5794

Surface and Volume Properties
Accessible surface: 369.565	Positive charged surface: 216.859	Negative charged surface: 152.706	Volume: 170.125
Hydrophobic surface: 317.664	Hydrophilic surface: 51.901

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.