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MMsINC code: MMs02103178

Type: Neutral
Formula: C₂₀H₂₄N₂O₂

SMILES:

O=C(c1ccccc1C)c1[nH]c(cc1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C20H24N2O2/c1-14-8-6-7-11-16(14)19(23)17-12-13-18(22-17)20(24)21-15-9-4-2-3-5-10-15/h6-8,11-13,15,22H,2-5,9-10H2,1H3,(H,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1018 kcal/mol

Physical Properties
Molecular Weight: 324.424 g/mol	logS: -4.81316	SlogP: 4.00672	Reactive groups: 0

Topological Properties
Globularity: 0.0512425	Sterimol/B1: 2.33327	Sterimol/B2: 2.96461	Sterimol/B3: 4.82455
Sterimol/B4: 5.72064	Sterimol/L: 18.8133

Surface and Volume Properties
Accessible surface: 598.385	Positive charged surface: 373.374	Negative charged surface: 225.011	Volume: 329.25
Hydrophobic surface: 501.938	Hydrophilic surface: 96.447

Pharmacophoric Properties
Hydrogen bond donors: 2	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.