MMsINC Database Search


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MMsINC code: MMs02286922

Type: Neutral
Formula: C₂₆H₂₀O₃

SMILES:

OC(C(O)=O)(c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H20O3/c27-25(28)26(29,23-15-11-21(12-16-23)19-7-3-1-4-8-19)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,29H,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=168.079 kcal/mol

Physical Properties
Molecular Weight: 380.443 g/mol	logS: -7.7724	SlogP: 5.6526	Reactive groups: 0

Topological Properties
Globularity: 0.103601	Sterimol/B1: 2.61807	Sterimol/B2: 3.56355	Sterimol/B3: 5.11519
Sterimol/B4: 8.62997	Sterimol/L: 18.6607

Surface and Volume Properties
Accessible surface: 644.327	Positive charged surface: 299.123	Negative charged surface: 324.168	Volume: 373.875
Hydrophobic surface: 542.625	Hydrophilic surface: 101.702

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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

MMs02286923
NCID-ZINC01646281