MMsINC Database Search


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MMsINC code: MMs00745942

Type: Neutral
Formula: C₁₉H₂₄O₄

SMILES:

O(CCOCCOc1ccccc1OC)c1cc(ccc1C)C

InChI:

InChI=1/C19H24O4/c1-15-8-9-16(2)19(14-15)23-13-11-21-10-12-22-18-7-5-4-6-17(18)20-3/h4-9,14H,10-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.289 kcal/mol

Physical Properties
Molecular Weight: 316.397 g/mol	logS: -4.10739	SlogP: 3.78644	Reactive groups: 0

Topological Properties
Globularity: 0.142742	Sterimol/B1: 2.87195	Sterimol/B2: 4.47917	Sterimol/B3: 4.6851
Sterimol/B4: 7.18636	Sterimol/L: 16.3037

Surface and Volume Properties
Accessible surface: 651.94	Positive charged surface: 473.068	Negative charged surface: 178.872	Volume: 324.75
Hydrophobic surface: 635.558	Hydrophilic surface: 16.382

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.