MMsINC Database Search


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MMsINC code: MMs03482006

Type: Neutral
Formula: C₁₈H₂₂O₄

SMILES:

O(c1ccccc1COC)c1cc(cc(c1)COC)COC

InChI:

InChI=1/C18H22O4/c1-19-11-14-8-15(12-20-2)10-17(9-14)22-18-7-5-4-6-16(18)13-21-3/h4-10H,11-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.9326 kcal/mol

Physical Properties
Molecular Weight: 302.37 g/mol	logS: -3.51619	SlogP: 4.7173	Reactive groups: 0

Topological Properties
Globularity: 0.176999	Sterimol/B1: 2.03959	Sterimol/B2: 6.42149	Sterimol/B3: 6.43171
Sterimol/B4: 7.72963	Sterimol/L: 15.0727

Surface and Volume Properties
Accessible surface: 616.192	Positive charged surface: 493.891	Negative charged surface: 122.302	Volume: 311.375
Hydrophobic surface: 577.52	Hydrophilic surface: 38.672

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.