MMsINC Database Search


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MMsINC code: MMs00614842

Type: Neutral
Formula: C₁₉H₂₂O₂

SMILES:

O(CC)c1cc2c(cc(cc2)C(=O)C2CCCCC2)cc1

InChI:

InChI=1/C19H22O2/c1-2-21-18-11-10-15-12-17(9-8-16(15)13-18)19(20)14-6-4-3-5-7-14/h8-14H,2-7H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.9437 kcal/mol

Physical Properties
Molecular Weight: 282.383 g/mol	logS: -5.79978	SlogP: 5.0015	Reactive groups: 0

Topological Properties
Globularity: 0.0298124	Sterimol/B1: 3.19938	Sterimol/B2: 3.21985	Sterimol/B3: 3.39057
Sterimol/B4: 4.84749	Sterimol/L: 18.6251

Surface and Volume Properties
Accessible surface: 547.424	Positive charged surface: 359.538	Negative charged surface: 176.815	Volume: 294.125
Hydrophobic surface: 490.878	Hydrophilic surface: 56.546

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.