MMsINC Database Search


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MMsINC code: MMs02293101

Type: Neutral
Formula: C₂₅H₂₀O₂

SMILES:

O(C)c1ccccc1C(=O)c1ccccc1Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C25H20O2/c1-27-24-16-7-6-15-23(24)25(26)22-14-5-3-10-20(22)17-19-12-8-11-18-9-2-4-13-21(18)19/h2-16H,17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=138.483 kcal/mol

Physical Properties
Molecular Weight: 352.433 g/mol	logS: -7.50233	SlogP: 5.67017	Reactive groups: 0

Topological Properties
Globularity: 0.152195	Sterimol/B1: 2.86773	Sterimol/B2: 3.41251	Sterimol/B3: 5.07462
Sterimol/B4: 8.22038	Sterimol/L: 15.198

Surface and Volume Properties
Accessible surface: 600.605	Positive charged surface: 350.034	Negative charged surface: 241.138	Volume: 354.25
Hydrophobic surface: 581.782	Hydrophilic surface: 18.823

Pharmacophoric Properties
Hydrogen bond donors: 0	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.