MMsINC Database Search


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MMsINC code: MMs01745286

Type: Neutral
Formula: C₁₅H₈F₂O₂

SMILES:

Fc1ccccc1C=1Oc2c(cc(F)cc2)C(=O)C=1

InChI:

InChI=1/C15H8F2O2/c16-9-5-6-14-11(7-9)13(18)8-15(19-14)10-3-1-2-4-12(10)17/h1-8H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7348 kcal/mol

Physical Properties
Molecular Weight: 258.223 g/mol	logS: -5.13845	SlogP: 3.581	Reactive groups: 1

Topological Properties
Globularity: 0.0384494	Sterimol/B1: 2.097	Sterimol/B2: 3.62246	Sterimol/B3: 4.01386
Sterimol/B4: 4.70755	Sterimol/L: 14.5066

Surface and Volume Properties
Accessible surface: 440.985	Positive charged surface: 209.082	Negative charged surface: 231.902	Volume: 221.625
Hydrophobic surface: 399.831	Hydrophilic surface: 41.154

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.