MMsINC Database Search


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MMsINC code: MMs02574818

Type: Neutral
Formula: C₂₃H₁₈O₃

SMILES:

O1c2c(cccc2)C(=O)C(OCc2ccc(cc2)C)=C1c1ccccc1

InChI:

InChI=1/C23H18O3/c1-16-11-13-17(14-12-16)15-25-23-21(24)19-9-5-6-10-20(19)26-22(23)18-7-3-2-4-8-18/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.608 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -6.87672	SlogP: 5.42212	Reactive groups: 1

Topological Properties
Globularity: 0.0377173	Sterimol/B1: 3.17315	Sterimol/B2: 3.25656	Sterimol/B3: 3.63123
Sterimol/B4: 7.84242	Sterimol/L: 17.2849

Surface and Volume Properties
Accessible surface: 598.599	Positive charged surface: 344.817	Negative charged surface: 253.782	Volume: 339
Hydrophobic surface: 558.957	Hydrophilic surface: 39.642

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.