MMsINC Database Search


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MMsINC code: MMs02350452

Type: Neutral
Formula: C₂₄H₂₂O₃

SMILES:

O(C(C(C(=O)c1ccccc1)(C)C)c1ccccc1)C(=O)c1ccccc1

InChI:

InChI=1/C24H22O3/c1-24(2,21(25)18-12-6-3-7-13-18)22(19-14-8-4-9-15-19)27-23(26)20-16-10-5-11-17-20/h3-17,22H,1-2H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.964 kcal/mol

Physical Properties
Molecular Weight: 358.437 g/mol	logS: -5.91922	SlogP: 5.5893	Reactive groups: 0

Topological Properties
Globularity: 0.212325	Sterimol/B1: 2.45783	Sterimol/B2: 5.57385	Sterimol/B3: 5.69212
Sterimol/B4: 6.63964	Sterimol/L: 16.5859

Surface and Volume Properties
Accessible surface: 607.247	Positive charged surface: 325.86	Negative charged surface: 281.387	Volume: 361.875
Hydrophobic surface: 531.37	Hydrophilic surface: 75.877

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

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.