MMsINC Database Search


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MMsINC code: MMs02138016

Type: Neutral
Formula: C₂₃H₁₈O₃

SMILES:

O1C=C(Cc2ccccc2OCc2ccccc2)C(=O)c2c1cccc2

InChI:

InChI=1/C23H18O3/c24-23-19(16-26-22-13-7-5-11-20(22)23)14-18-10-4-6-12-21(18)25-15-17-8-2-1-3-9-17/h1-13,16H,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.9371 kcal/mol

Physical Properties
Molecular Weight: 342.394 g/mol	logS: -6.13903	SlogP: 5.23367	Reactive groups: 1

Topological Properties
Globularity: 0.101906	Sterimol/B1: 2.41055	Sterimol/B2: 3.6403	Sterimol/B3: 3.9127
Sterimol/B4: 9.65751	Sterimol/L: 15.5578

Surface and Volume Properties
Accessible surface: 599.691	Positive charged surface: 335.393	Negative charged surface: 264.298	Volume: 340.25
Hydrophobic surface: 569.495	Hydrophilic surface: 30.196

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.