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MMsINC code: MMs00991680

Type: Neutral
Formula: C₁₈H₂₂N₂O₃

SMILES:

O(CCCNC(=O)Cn1cccc1C(=O)c1ccccc1C)C

InChI:

InChI=1/C18H22N2O3/c1-14-7-3-4-8-15(14)18(22)16-9-5-11-20(16)13-17(21)19-10-6-12-23-2/h3-5,7-9,11H,6,10,12-13H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.2764 kcal/mol

Physical Properties
Molecular Weight: 314.385 g/mol	logS: -2.93874	SlogP: 2.44662	Reactive groups: 0

Topological Properties
Globularity: 0.0737979	Sterimol/B1: 2.24714	Sterimol/B2: 3.23179	Sterimol/B3: 5.5499
Sterimol/B4: 7.14657	Sterimol/L: 17.9626

Surface and Volume Properties
Accessible surface: 605.03	Positive charged surface: 419.657	Negative charged surface: 185.372	Volume: 318
Hydrophobic surface: 520.926	Hydrophilic surface: 84.104

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.