MMsINC Database Search


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MMsINC code: MMs02486223

Type: Neutral
Formula: C₂₄H₂₀O₂

SMILES:

O(C)c1cc(c2c(cccc2)c1O)C(c1ccccc1)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.137 kcal/mol

Physical Properties
Molecular Weight: 340.422 g/mol	logS: -6.71003	SlogP: 5.7342	Reactive groups: 0

Topological Properties
Globularity: 0.450693	Sterimol/B1: 2.22972	Sterimol/B2: 2.2818	Sterimol/B3: 7.23459
Sterimol/B4: 8.84626	Sterimol/L: 12.9611

Surface and Volume Properties
Accessible surface: 571.96	Positive charged surface: 342.688	Negative charged surface: 222.457	Volume: 343
Hydrophobic surface: 520.975	Hydrophilic surface: 50.985

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.