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MMsINC code: MMs00604715

Type: Neutral
Formula: C₁₉H₂₃NO₂

SMILES:

O(C)c1ccc(cc1)CCCC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C19H23NO2/c1-15(17-8-4-3-5-9-17)20-19(21)10-6-7-16-11-13-18(22-2)14-12-16/h3-5,8-9,11-15H,6-7,10H2,1-2H3,(H,20,21)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.0661 kcal/mol

Physical Properties
Molecular Weight: 297.398 g/mol	logS: -4.13511	SlogP: 3.99077	Reactive groups: 0

Topological Properties
Globularity: 0.0554199	Sterimol/B1: 2.22561	Sterimol/B2: 2.85496	Sterimol/B3: 5.19329
Sterimol/B4: 5.68288	Sterimol/L: 20.0881

Surface and Volume Properties
Accessible surface: 609.08	Positive charged surface: 400.832	Negative charged surface: 208.248	Volume: 313.625
Hydrophobic surface: 543.87	Hydrophilic surface: 65.21

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.