MMsINC Database Search


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MMsINC code: MMs00752383

Type: Neutral
Formula: C₁₉H₂₄O₄

SMILES:

O(CCCCCOc1ccc(OC)cc1)c1ccc(OC)cc1

InChI:

InChI=1/C19H24O4/c1-20-16-6-10-18(11-7-16)22-14-4-3-5-15-23-19-12-8-17(21-2)9-13-19/h6-13H,3-5,14-15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.8552 kcal/mol

Physical Properties
Molecular Weight: 316.397 g/mol	logS: -3.98605	SlogP: 4.3319	Reactive groups: 0

Topological Properties
Globularity: 0.00705459	Sterimol/B1: 1.969	Sterimol/B2: 2.37456	Sterimol/B3: 2.37887
Sterimol/B4: 6.65502	Sterimol/L: 22.0251

Surface and Volume Properties
Accessible surface: 650.81	Positive charged surface: 475.297	Negative charged surface: 175.513	Volume: 326.5
Hydrophobic surface: 617.159	Hydrophilic surface: 33.651

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.