MMsINC Database Search


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MMsINC code: MMs02310221

Type: Neutral
Formula: C₁₉H₂₀O

SMILES:

O=C(c1ccc(cc1)C1CCCCC1)c1ccccc1

InChI:

InChI=1/C19H20O/c20-19(17-9-5-2-6-10-17)18-13-11-16(12-14-18)15-7-3-1-4-8-15/h2,5-6,9-15H,1,3-4,7-8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.049 kcal/mol

Physical Properties
Molecular Weight: 264.368 g/mol	logS: -6.40567	SlogP: 4.9653	Reactive groups: 0

Topological Properties
Globularity: 0.0623963	Sterimol/B1: 2.63111	Sterimol/B2: 3.67427	Sterimol/B3: 3.74427
Sterimol/B4: 6.51417	Sterimol/L: 15.9764

Surface and Volume Properties
Accessible surface: 514.388	Positive charged surface: 327.128	Negative charged surface: 187.261	Volume: 282.125
Hydrophobic surface: 478.191	Hydrophilic surface: 36.197

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.