MMsINC Database Search


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MMsINC code: MMs02996048

Type: Neutral
Formula: C₁₆H₁₂O₄

SMILES:

O(C(=O)C(=O)c1ccccc1)CC(=O)c1ccccc1

InChI:

InChI=1/C16H12O4/c17-14(12-7-3-1-4-8-12)11-20-16(19)15(18)13-9-5-2-6-10-13/h1-10H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.7433 kcal/mol

Physical Properties
Molecular Weight: 268.268 g/mol	logS: -4.19721	SlogP: 2.2954	Reactive groups: 0

Topological Properties
Globularity: 0.00282182	Sterimol/B1: 2.25381	Sterimol/B2: 2.49572	Sterimol/B3: 3.38971
Sterimol/B4: 4.84554	Sterimol/L: 17.3796

Surface and Volume Properties
Accessible surface: 504.441	Positive charged surface: 257.356	Negative charged surface: 247.085	Volume: 253.125
Hydrophobic surface: 392.835	Hydrophilic surface: 111.606

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.