MMsINC Database Search


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MMsINC code: MMs03494112

Type: Neutral
Formula: C₁₅H₁₆O₄

SMILES:

O(C)c1cc(cc(OC)c1O)-c1ccc(OC)cc1

InChI:

InChI=1/C15H16O4/c1-17-12-6-4-10(5-7-12)11-8-13(18-2)15(16)14(9-11)19-3/h4-9,16H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=102.54 kcal/mol

Physical Properties
Molecular Weight: 260.289 g/mol	logS: -3.60045	SlogP: 3.085	Reactive groups: 0

Topological Properties
Globularity: 0.0143029	Sterimol/B1: 2.3702	Sterimol/B2: 2.47652	Sterimol/B3: 5.6572
Sterimol/B4: 6.08182	Sterimol/L: 14.7715

Surface and Volume Properties
Accessible surface: 503.343	Positive charged surface: 365.451	Negative charged surface: 126.238	Volume: 252.625
Hydrophobic surface: 428.31	Hydrophilic surface: 75.033

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.