MMsINC Database Search


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MMsINC code: MMs02311497

Type: Neutral
Formula: C₂₆H₂₀O₄

SMILES:

O(C(Oc1ccc(cc1)-c1ccccc1)C(O)=O)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C26H20O4/c27-25(28)26(29-23-15-11-21(12-16-23)19-7-3-1-4-8-19)30-24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18,26H,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=158.285 kcal/mol

Physical Properties
Molecular Weight: 396.442 g/mol	logS: -8.00931	SlogP: 5.8891	Reactive groups: 0

Topological Properties
Globularity: 0.0903547	Sterimol/B1: 2.13113	Sterimol/B2: 3.94135	Sterimol/B3: 4.6161
Sterimol/B4: 8.85775	Sterimol/L: 19.1579

Surface and Volume Properties
Accessible surface: 674.085	Positive charged surface: 329.942	Negative charged surface: 322.516	Volume: 386.625
Hydrophobic surface: 578.599	Hydrophilic surface: 95.486

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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

MMs02311498
NCID-ZINC01676273