MMsINC Database Search


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MMsINC code: MMs03031052

Type: Neutral
Formula: C₂₃H₂₀O₂

SMILES:

O(C)c1cc2c(cc1)C(=C(CC2)c1ccccc1)c1ccc(O)cc1

InChI:

InChI=1/C23H20O2/c1-25-20-12-14-22-18(15-20)9-13-21(16-5-3-2-4-6-16)23(22)17-7-10-19(24)11-8-17/h2-8,10-12,14-15,24H,9,13H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.895 kcal/mol

Physical Properties
Molecular Weight: 328.411 g/mol	logS: -5.80036	SlogP: 5.12336	Reactive groups: 0

Topological Properties
Globularity: 0.085514	Sterimol/B1: 3.55885	Sterimol/B2: 3.65797	Sterimol/B3: 5.81628
Sterimol/B4: 5.94766	Sterimol/L: 16.3831

Surface and Volume Properties
Accessible surface: 582.864	Positive charged surface: 392.068	Negative charged surface: 190.796	Volume: 335
Hydrophobic surface: 520.341	Hydrophilic surface: 62.523

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.