MMsINC Database Search


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MMsINC code: MMs02230226

Type: Neutral
Formula: C₁₆H₁₀O₄

SMILES:

O=C(C=O)c1ccccc1-c1ccccc1C(=O)C=O

InChI:

InChI=1/C16H10O4/c17-9-15(19)13-7-3-1-5-11(13)12-6-2-4-8-14(12)16(20)10-18/h1-10H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=118.221 kcal/mol

Physical Properties
Molecular Weight: 266.252 g/mol	logS: -4.48618	SlogP: 2.1168	Reactive groups: 1

Topological Properties
Globularity: 0.252263	Sterimol/B1: 2.28104	Sterimol/B2: 3.12244	Sterimol/B3: 5.22854
Sterimol/B4: 6.84274	Sterimol/L: 12.0703

Surface and Volume Properties
Accessible surface: 446.24	Positive charged surface: 230.515	Negative charged surface: 214.341	Volume: 242.125
Hydrophobic surface: 288.474	Hydrophilic surface: 157.766

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.