MMsINC Database Search


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MMsINC code: MMs00103049

Type: Neutral
Formula: C₁₅H₉FO₂

SMILES:

Fc1cc(ccc1)C=1Oc2c(cccc2)C(=O)C=1

InChI:

InChI=1/C15H9FO2/c16-11-5-3-4-10(8-11)15-9-13(17)12-6-1-2-7-14(12)18-15/h1-9H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9214 kcal/mol

Physical Properties
Molecular Weight: 240.233 g/mol	logS: -4.84347	SlogP: 3.4419	Reactive groups: 1

Topological Properties
Globularity: 5.97115e-07	Sterimol/B1: 2.09971	Sterimol/B2: 2.10031	Sterimol/B3: 4.11741
Sterimol/B4: 4.96078	Sterimol/L: 14.2226

Surface and Volume Properties
Accessible surface: 438.34	Positive charged surface: 205.695	Negative charged surface: 232.645	Volume: 219.75
Hydrophobic surface: 396.525	Hydrophilic surface: 41.815

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.