MMsINC Database Search


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MMsINC code: MMs01530118

Type: Neutral
Formula: C₁₄H₇FO₂

SMILES:

Fc1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C14H7FO2/c15-11-7-3-6-10-12(11)14(17)9-5-2-1-4-8(9)13(10)16/h1-7H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5543 kcal/mol

Physical Properties
Molecular Weight: 226.206 g/mol	logS: -4.17998	SlogP: 2.6011	Reactive groups: 0

Topological Properties
Globularity: 3.42011e-06	Sterimol/B1: 2.09789	Sterimol/B2: 2.11153	Sterimol/B3: 3.73151
Sterimol/B4: 5.07697	Sterimol/L: 12.2254

Surface and Volume Properties
Accessible surface: 395.9	Positive charged surface: 191.86	Negative charged surface: 204.041	Volume: 198.125
Hydrophobic surface: 326.741	Hydrophilic surface: 69.159

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.