MMsINC Database Search


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MMsINC code: MMs01820068

Type: Neutral
Formula: C₂₄H₂₀O₂

SMILES:

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

InChI:

InChI=1/C24H20O2/c1-18(24(26)21-15-9-4-10-16-21)22(19-11-5-2-6-12-19)17-23(25)20-13-7-3-8-14-20/h2-16,22H,1,17H2/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.66 kcal/mol

Physical Properties
Molecular Weight: 340.422 g/mol	logS: -5.88071	SlogP: 5.4823	Reactive groups: 1

Topological Properties
Globularity: 0.172254	Sterimol/B1: 2.20819	Sterimol/B2: 3.93688	Sterimol/B3: 6.61721
Sterimol/B4: 7.37773	Sterimol/L: 16.1914

Surface and Volume Properties
Accessible surface: 591.217	Positive charged surface: 329.126	Negative charged surface: 262.091	Volume: 351.375
Hydrophobic surface: 522.548	Hydrophilic surface: 68.669

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.