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MMsINC code: MMs02592225

Type: Neutral
Formula: C₁₉H₂₂N₂O₃

SMILES:

O(C(=O)c1ccccc1NCC(=O)Nc1ccc(cc1C)C)CC

InChI:

InChI=1/C19H22N2O3/c1-4-24-19(23)15-7-5-6-8-17(15)20-12-18(22)21-16-10-9-13(2)11-14(16)3/h5-11,20H,4,12H2,1-3H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=107.769 kcal/mol

Physical Properties
Molecular Weight: 326.396 g/mol	logS: -4.5211	SlogP: 3.53074	Reactive groups: 0

Topological Properties
Globularity: 0.0161058	Sterimol/B1: 2.56876	Sterimol/B2: 2.76549	Sterimol/B3: 2.9953
Sterimol/B4: 9.57506	Sterimol/L: 17.4094

Surface and Volume Properties
Accessible surface: 627.617	Positive charged surface: 410.284	Negative charged surface: 217.333	Volume: 327.25
Hydrophobic surface: 532.601	Hydrophilic surface: 95.016

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.