MMsINC Database Search


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MMsINC code: MMs02306182

Type: Neutral
Formula: C₁₉H₂₀O₂

SMILES:

O=C(C)c1ccc(cc1)CCCc1ccc(cc1)C(=O)C

InChI:

InChI=1/C19H20O2/c1-14(20)18-10-6-16(7-11-18)4-3-5-17-8-12-19(13-9-17)15(2)21/h6-13H,3-5H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.1819 kcal/mol

Physical Properties
Molecular Weight: 280.367 g/mol	logS: -5.01594	SlogP: 4.26704	Reactive groups: 0

Topological Properties
Globularity: 0.0857117	Sterimol/B1: 2.57317	Sterimol/B2: 3.3582	Sterimol/B3: 4.73861
Sterimol/B4: 5.8686	Sterimol/L: 18.0676

Surface and Volume Properties
Accessible surface: 566.641	Positive charged surface: 323.167	Negative charged surface: 243.474	Volume: 295.5
Hydrophobic surface: 485.077	Hydrophilic surface: 81.564

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.