MMsINC Database Search


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MMsINC code: MMs02181541

Type: Neutral
Formula: C₁₄H₁₁FO

SMILES:

Fc1c2c(CC2(O)c2ccccc2)ccc1

InChI:

InChI=1/C14H11FO/c15-12-8-4-5-10-9-14(16,13(10)12)11-6-2-1-3-7-11/h1-8,16H,9H2/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3894 kcal/mol

Physical Properties
Molecular Weight: 214.239 g/mol	logS: -3.40265	SlogP: 2.92917	Reactive groups: 0

Topological Properties
Globularity: 0.216262	Sterimol/B1: 2.715	Sterimol/B2: 3.37048	Sterimol/B3: 4.37026
Sterimol/B4: 5.13953	Sterimol/L: 12.1562

Surface and Volume Properties
Accessible surface: 411.513	Positive charged surface: 188.792	Negative charged surface: 192.599	Volume: 206.125
Hydrophobic surface: 376.977	Hydrophilic surface: 34.536

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.