MMsINC Database Search


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MMsINC code: MMs00003211

Type: Neutral
Formula: C₁₃H₁₀F₂O

SMILES:

Fc1ccc(cc1)C(O)c1ccc(F)cc1

InChI:

InChI=1/C13H10F2O/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,13,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.6553 kcal/mol

Physical Properties
Molecular Weight: 220.218 g/mol	logS: -3.51376	SlogP: 3.142	Reactive groups: 0

Topological Properties
Globularity: 0.180702	Sterimol/B1: 2.47169	Sterimol/B2: 3.61134	Sterimol/B3: 3.77668
Sterimol/B4: 4.82556	Sterimol/L: 12.1741

Surface and Volume Properties
Accessible surface: 400.801	Positive charged surface: 183.869	Negative charged surface: 216.932	Volume: 200.625
Hydrophobic surface: 362.833	Hydrophilic surface: 37.968

Pharmacophoric Properties
Hydrogen bond donors: 1	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.