MMsINC Database Search


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MMsINC code: MMs02435614

Type: Neutral
Formula: C₁₆H₁₈O₄

SMILES:

O(C)c1cc(ccc1OC)COc1ccc(OC)cc1

InChI:

InChI=1/C16H18O4/c1-17-13-5-7-14(8-6-13)20-11-12-4-9-15(18-2)16(10-12)19-3/h4-10H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9192 kcal/mol

Physical Properties
Molecular Weight: 274.316 g/mol	logS: -3.3543	SlogP: 3.5578	Reactive groups: 0

Topological Properties
Globularity: 0.0574585	Sterimol/B1: 2.33595	Sterimol/B2: 3.90114	Sterimol/B3: 4.90999
Sterimol/B4: 5.6328	Sterimol/L: 18.101

Surface and Volume Properties
Accessible surface: 547.319	Positive charged surface: 410.379	Negative charged surface: 136.94	Volume: 271
Hydrophobic surface: 509.888	Hydrophilic surface: 37.431

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.