MMsINC Database Search


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MMsINC code: MMs02203187

Type: Neutral
Formula: C₁₄H₇FO₂

SMILES:

Fc1cc2c(cc1)C(=O)c1c(cccc1)C2=O

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.2143 kcal/mol

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

Topological Properties
Globularity: 6.61148e-07	Sterimol/B1: 2.09831	Sterimol/B2: 2.10199	Sterimol/B3: 3.73422
Sterimol/B4: 5.07348	Sterimol/L: 12.4729

Surface and Volume Properties
Accessible surface: 390.894	Positive charged surface: 181.307	Negative charged surface: 209.586	Volume: 200.375
Hydrophobic surface: 322.416	Hydrophilic surface: 68.478

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.