MMsINC Database Search


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MMsINC code: MMs02091460

Type: Neutral
Formula: C₁₆H₁₆O₄

SMILES:

O(C)c1cc(OC)cc(O)c1C(=O)Cc1ccccc1

InChI:

InChI=1/C16H16O4/c1-19-12-9-14(18)16(15(10-12)20-2)13(17)8-11-6-4-3-5-7-11/h3-7,9-10,18H,8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4269 kcal/mol

Physical Properties
Molecular Weight: 272.3 g/mol	logS: -3.25797	SlogP: 2.83477	Reactive groups: 0

Topological Properties
Globularity: 0.0617114	Sterimol/B1: 2.51353	Sterimol/B2: 3.58422	Sterimol/B3: 3.66882
Sterimol/B4: 7.56714	Sterimol/L: 16.2047

Surface and Volume Properties
Accessible surface: 514.307	Positive charged surface: 365.791	Negative charged surface: 148.516	Volume: 265.625
Hydrophobic surface: 445.3	Hydrophilic surface: 69.007

Pharmacophoric Properties
Hydrogen bond donors: 1	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.