MMsINC Database Search


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MMsINC code: MMs02250281

Type: Neutral
Formula: C₁₈H₂₀O₄

SMILES:

O(Cc1ccccc1)c1ccccc1C(OCCOCC)=O

InChI:

InChI=1/C18H20O4/c1-2-20-12-13-21-18(19)16-10-6-7-11-17(16)22-14-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.5191 kcal/mol

Physical Properties
Molecular Weight: 300.354 g/mol	logS: -4.05474	SlogP: 3.7253	Reactive groups: 0

Topological Properties
Globularity: 0.0639664	Sterimol/B1: 2.47508	Sterimol/B2: 4.40725	Sterimol/B3: 4.75172
Sterimol/B4: 7.15179	Sterimol/L: 17.0281

Surface and Volume Properties
Accessible surface: 608.35	Positive charged surface: 408.369	Negative charged surface: 199.98	Volume: 302.25
Hydrophobic surface: 546.013	Hydrophilic surface: 62.337

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.