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MMsINC code: MMs03131389

Type: Neutral
Formula: C₂₄H₂₂O₃

SMILES:

O1C2C(=CC(CC)=C(OCc3ccccc3)C2)C(=CC1=O)c1ccccc1

InChI:

InChI=1/C24H22O3/c1-2-18-13-21-20(19-11-7-4-8-12-19)14-24(25)27-23(21)15-22(18)26-16-17-9-5-3-6-10-17/h3-14,23H,2,15-16H2,1H3/t23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.3792 kcal/mol

Physical Properties
Molecular Weight: 358.437 g/mol	logS: -5.86933	SlogP: 5.4728	Reactive groups: 0

Topological Properties
Globularity: 0.041823	Sterimol/B1: 2.44605	Sterimol/B2: 3.00288	Sterimol/B3: 3.5179
Sterimol/B4: 9.09982	Sterimol/L: 17.754

Surface and Volume Properties
Accessible surface: 632.631	Positive charged surface: 358.647	Negative charged surface: 273.984	Volume: 360.5
Hydrophobic surface: 538.644	Hydrophilic surface: 93.987

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.