MMsINC Database Search


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MMsINC code: MMs00731564

Type: Neutral
Formula: C₁₉H₂₄O₂

SMILES:

O(CCCOc1ccc(cc1C)C)c1ccc(cc1C)C

InChI:

InChI=1/C19H24O2/c1-14-6-8-18(16(3)12-14)20-10-5-11-21-19-9-7-15(2)13-17(19)4/h6-9,12-13H,5,10-11H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.2006 kcal/mol

Physical Properties
Molecular Weight: 284.399 g/mol	logS: -4.75053	SlogP: 4.76818	Reactive groups: 0

Topological Properties
Globularity: 0.00986263	Sterimol/B1: 2.51112	Sterimol/B2: 2.51187	Sterimol/B3: 2.60258
Sterimol/B4: 6.203	Sterimol/L: 19.244

Surface and Volume Properties
Accessible surface: 606.917	Positive charged surface: 403.793	Negative charged surface: 203.124	Volume: 311.875
Hydrophobic surface: 604.867	Hydrophilic surface: 2.0500000000001

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.