MMsINC Database Search


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MMsINC code: MMs02181542

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.3375 kcal/mol

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

Topological Properties
Globularity: 0.216574	Sterimol/B1: 2.72058	Sterimol/B2: 3.37065	Sterimol/B3: 4.3686
Sterimol/B4: 5.14305	Sterimol/L: 12.1562

Surface and Volume Properties
Accessible surface: 414.236	Positive charged surface: 188.237	Negative charged surface: 195.509	Volume: 206
Hydrophobic surface: 379.875	Hydrophilic surface: 34.361

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.