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MMsINC code: MMs00745854

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCCOc1cc(OCC)ccc1)c1cccc(C)c1C

InChI:

InChI=1/C19H24O3/c1-4-20-17-9-6-10-18(14-17)21-12-7-13-22-19-11-5-8-15(2)16(19)3/h5-6,8-11,14H,4,7,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.2493 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -4.49373	SlogP: 4.55004	Reactive groups: 0

Topological Properties
Globularity: 0.00765284	Sterimol/B1: 2.5007	Sterimol/B2: 2.50941	Sterimol/B3: 2.89046
Sterimol/B4: 5.91777	Sterimol/L: 21.5434

Surface and Volume Properties
Accessible surface: 627.819	Positive charged surface: 421.649	Negative charged surface: 206.171	Volume: 316.75
Hydrophobic surface: 589.949	Hydrophilic surface: 37.87

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.