MMsINC Database Search


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MMsINC code: MMs02217447

Type: Neutral
Formula: C₁₆H₁₄O₄

SMILES:

O(C(=O)c1ccc(OC)cc1)c1ccccc1C(=O)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.1754 kcal/mol

Physical Properties
Molecular Weight: 270.284 g/mol	logS: -3.86159	SlogP: 3.117	Reactive groups: 0

Topological Properties
Globularity: 0.078529	Sterimol/B1: 2.36253	Sterimol/B2: 3.23298	Sterimol/B3: 4.05079
Sterimol/B4: 7.49051	Sterimol/L: 16.0654

Surface and Volume Properties
Accessible surface: 503.127	Positive charged surface: 312.278	Negative charged surface: 190.849	Volume: 260.125
Hydrophobic surface: 442.286	Hydrophilic surface: 60.841

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.