MMsINC Database Search


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MMsINC code: MMs02335462

Type: Neutral
Formula: C₂₄H₂₀O₂

SMILES:

O(C(=O)C1C(C1=C(c1ccccc1)c1ccccc1)c1ccccc1)C

InChI:

InChI=1/C24H20O2/c1-26-24(25)23-21(19-15-9-4-10-16-19)22(23)20(17-11-5-2-6-12-17)18-13-7-3-8-14-18/h2-16,21,23H,1H3/t21-,23-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.772 kcal/mol

Physical Properties
Molecular Weight: 340.422 g/mol	logS: -5.98221	SlogP: 4.89239	Reactive groups: 0

Topological Properties
Globularity: 0.219826	Sterimol/B1: 2.37802	Sterimol/B2: 3.68232	Sterimol/B3: 4.59332
Sterimol/B4: 11.7848	Sterimol/L: 14.2759

Surface and Volume Properties
Accessible surface: 606.357	Positive charged surface: 385.331	Negative charged surface: 221.026	Volume: 354.125
Hydrophobic surface: 589.71	Hydrophilic surface: 16.647

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.