MMsINC Database Search


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MMsINC code: MMs00008095

Type: Neutral
Formula: C₂₄H₁₈O₄

SMILES:

O(C(=O)C)c1ccc2c(cccc2)c1-c1c2c(ccc1OC(=O)C)cccc2

InChI:

InChI=1/C24H18O4/c1-15(25)27-21-13-11-17-7-3-5-9-19(17)23(21)24-20-10-6-4-8-18(20)12-14-22(24)28-16(2)26/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.516 kcal/mol

Physical Properties
Molecular Weight: 370.404 g/mol	logS: -8.27406	SlogP: 5.5106	Reactive groups: 0

Topological Properties
Globularity: 0.498725	Sterimol/B1: 2.37833	Sterimol/B2: 3.27734	Sterimol/B3: 6.85538
Sterimol/B4: 8.70855	Sterimol/L: 12.4997

Surface and Volume Properties
Accessible surface: 581.909	Positive charged surface: 326.867	Negative charged surface: 248.676	Volume: 353.875
Hydrophobic surface: 541.544	Hydrophilic surface: 40.365

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.