MMsINC Database Search


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MMsINC code: MMs00867376

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C)c1ccccc1C(=O)C(=O)c1ccccc1OC

InChI:

InChI=1/C16H14O4/c1-19-13-9-5-3-7-11(13)15(17)16(18)12-8-4-6-10-14(12)20-2/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.267 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.8898	SlogP: 2.7694	Reactive groups: 1

Topological Properties
Globularity: 0.0941196	Sterimol/B1: 2.59802	Sterimol/B2: 2.98799	Sterimol/B3: 4.26752
Sterimol/B4: 6.23663	Sterimol/L: 13.7536

Surface and Volume Properties
Accessible surface: 503.258	Positive charged surface: 329.523	Negative charged surface: 173.734	Volume: 260.25
Hydrophobic surface: 444.068	Hydrophilic surface: 59.19

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.