MMsINC Database Search


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MMsINC code: MMs00739916

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCCOc1ccc(cc1)C(C)C)c1ccccc1OC

InChI:

InChI=1/C19H24O3/c1-15(2)16-9-11-17(12-10-16)21-13-6-14-22-19-8-5-4-7-18(19)20-3/h4-5,7-12,15H,6,13-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1853 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -5.03649	SlogP: 4.6665	Reactive groups: 0

Topological Properties
Globularity: 0.0189359	Sterimol/B1: 2.37322	Sterimol/B2: 4.2669	Sterimol/B3: 4.876
Sterimol/B4: 5.50176	Sterimol/L: 18.904

Surface and Volume Properties
Accessible surface: 619.146	Positive charged surface: 433.488	Negative charged surface: 185.659	Volume: 315.25
Hydrophobic surface: 560.946	Hydrophilic surface: 58.2

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.