MMsINC Database Search


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MMsINC code: MMs02309511

Type: Neutral
Formula: C₁₈H₂₂O₄

SMILES:

O(C)c1ccc(OC)cc1CCc1cc(OC)ccc1OC

InChI:

InChI=1/C18H22O4/c1-19-15-7-9-17(21-3)13(11-15)5-6-14-12-16(20-2)8-10-18(14)22-4/h7-12H,5-6H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1433 kcal/mol

Physical Properties
Molecular Weight: 302.37 g/mol	logS: -3.4508	SlogP: 3.50614	Reactive groups: 0

Topological Properties
Globularity: 0.0224335	Sterimol/B1: 2.48894	Sterimol/B2: 2.65193	Sterimol/B3: 2.79356
Sterimol/B4: 8.20062	Sterimol/L: 15.972

Surface and Volume Properties
Accessible surface: 575.65	Positive charged surface: 456.699	Negative charged surface: 118.951	Volume: 307.125
Hydrophobic surface: 553.037	Hydrophilic surface: 22.613

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.