MMsINC Database Search


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MMsINC code: MMs02883205

Type: Neutral
Formula: C₂₅H₁₆O₃

SMILES:

O(C(=O)c1ccccc1C(=O)c1cc-2c(-c3c4c-2cccc4ccc3)cc1)C

InChI:

InChI=1/C25H16O3/c1-28-25(27)21-9-3-2-8-20(21)24(26)16-12-13-17-18-10-4-6-15-7-5-11-19(23(15)18)22(17)14-16/h2-14H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=175.833 kcal/mol

Physical Properties
Molecular Weight: 364.4 g/mol	logS: -8.92456	SlogP: 5.5048	Reactive groups: 0

Topological Properties
Globularity: 0.140855	Sterimol/B1: 2.4336	Sterimol/B2: 2.47981	Sterimol/B3: 6.3067
Sterimol/B4: 7.67147	Sterimol/L: 16.5671

Surface and Volume Properties
Accessible surface: 610.354	Positive charged surface: 330.069	Negative charged surface: 248.052	Volume: 349.875
Hydrophobic surface: 559.5	Hydrophilic surface: 50.854

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: 0

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Ions/Tautomers related molecules: no related molecules available.