MMsINC Database Search


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MMsINC code: MMs00741895

Type: Neutral
Formula: C₁₉H₂₄O₄

SMILES:

O(CCCOc1ccccc1OCC)c1ccccc1OCC

InChI:

InChI=1/C19H24O4/c1-3-20-16-10-5-7-12-18(16)22-14-9-15-23-19-13-8-6-11-17(19)21-4-2/h5-8,10-13H,3-4,9,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.0078 kcal/mol

Physical Properties
Molecular Weight: 316.397 g/mol	logS: -4.23693	SlogP: 4.3319	Reactive groups: 0

Topological Properties
Globularity: 0.00985617	Sterimol/B1: 2.01513	Sterimol/B2: 2.37952	Sterimol/B3: 2.38905
Sterimol/B4: 8.89515	Sterimol/L: 17.0203

Surface and Volume Properties
Accessible surface: 653.572	Positive charged surface: 453.297	Negative charged surface: 200.275	Volume: 327.625
Hydrophobic surface: 585.468	Hydrophilic surface: 68.104

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.