MMsINC Database Search


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MMsINC code: MMs00739920

Type: Neutral
Formula: C₁₉H₂₄O₃

SMILES:

O(CCCCOc1ccc(OC)cc1)c1c(cccc1C)C

InChI:

InChI=1/C19H24O3/c1-15-7-6-8-16(2)19(15)22-14-5-4-13-21-18-11-9-17(20-3)10-12-18/h6-12H,4-5,13-14H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=78.8549 kcal/mol

Physical Properties
Molecular Weight: 300.398 g/mol	logS: -4.05484	SlogP: 4.55004	Reactive groups: 0

Topological Properties
Globularity: 0.0471432	Sterimol/B1: 2.244	Sterimol/B2: 2.90096	Sterimol/B3: 5.00085
Sterimol/B4: 7.26001	Sterimol/L: 20.4664

Surface and Volume Properties
Accessible surface: 612.789	Positive charged surface: 418.546	Negative charged surface: 194.243	Volume: 318.625
Hydrophobic surface: 592.048	Hydrophilic surface: 20.741

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.