MMsINC Database Search


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MMsINC code: MMs02618424

Type: Neutral
Formula: C₂₆H₁₆O₄

SMILES:

O=C1c2c(cc(cc2)C(OCC(=O)c2cc3c(cc2)cccc3)=O)-c2c1cccc2

InChI:

InChI=1/C26H16O4/c27-24(18-10-9-16-5-1-2-6-17(16)13-18)15-30-26(29)19-11-12-22-23(14-19)20-7-3-4-8-21(20)25(22)28/h1-14H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.519 kcal/mol

Physical Properties
Molecular Weight: 392.41 g/mol	logS: -8.59743	SlogP: 5.0909	Reactive groups: 0

Topological Properties
Globularity: 0.000961101	Sterimol/B1: 2.37434	Sterimol/B2: 2.37576	Sterimol/B3: 4.04333
Sterimol/B4: 5.26038	Sterimol/L: 22.7836

Surface and Volume Properties
Accessible surface: 673.421	Positive charged surface: 326.732	Negative charged surface: 325.263	Volume: 372
Hydrophobic surface: 552.434	Hydrophilic surface: 120.987

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0

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Ions/Tautomers related molecules: no related molecules available.