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MMsINC code: MMs03116565

Type: Neutral
Formula: C₁₅H₁₄Br₂O₂

SMILES:

Brc1cc(cc(Br)c1OCc1ccc(cc1)C)CO

InChI:

InChI=1/C15H14Br2O2/c1-10-2-4-11(5-3-10)9-19-15-13(16)6-12(8-18)7-14(15)17/h2-7,18H,8-9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.2263 kcal/mol

Physical Properties
Molecular Weight: 386.083 g/mol	logS: -5.62888	SlogP: 5.12412	Reactive groups: 0

Topological Properties
Globularity: 0.0205339	Sterimol/B1: 2.45276	Sterimol/B2: 3.36075	Sterimol/B3: 5.00583
Sterimol/B4: 5.00671	Sterimol/L: 16.953

Surface and Volume Properties
Accessible surface: 534.522	Positive charged surface: 247.139	Negative charged surface: 287.383	Volume: 291.75
Hydrophobic surface: 460.414	Hydrophilic surface: 74.108

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.