MMsINC Database Search


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MMsINC code: MMs00260576

Type: Neutral
Formula: C₂₆H₂₀O₄

SMILES:

O(C(=O)c1ccc(cc1)C)c1c2c(ccc1)c(OC(=O)c1ccc(cc1)C)ccc2

InChI:

InChI=1/C26H20O4/c1-17-9-13-19(14-10-17)25(27)29-23-7-3-6-22-21(23)5-4-8-24(22)30-26(28)20-15-11-18(2)12-16-20/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=135.593 kcal/mol

Physical Properties
Molecular Weight: 396.442 g/mol	logS: -8.43872	SlogP: 5.89504	Reactive groups: 0

Topological Properties
Globularity: 0.046278	Sterimol/B1: 3.50333	Sterimol/B2: 3.87964	Sterimol/B3: 4.79908
Sterimol/B4: 5.19861	Sterimol/L: 22.4185

Surface and Volume Properties
Accessible surface: 695.832	Positive charged surface: 373.834	Negative charged surface: 315.203	Volume: 387.125
Hydrophobic surface: 647.518	Hydrophilic surface: 48.314

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.