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MMsINC code: MMs00472922

Type: Neutral
Formula: C₁₅H₂₂N₂O₄

SMILES:

O(C(=O)C(NC(=O)NCCCOC)Cc1ccccc1)C

InChI:

InChI=1/C15H22N2O4/c1-20-10-6-9-16-15(19)17-13(14(18)21-2)11-12-7-4-3-5-8-12/h3-5,7-8,13H,6,9-11H2,1-2H3,(H2,16,17,19)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.7397 kcal/mol

Physical Properties
Molecular Weight: 294.351 g/mol	logS: -2.18628	SlogP: 1.10637	Reactive groups: 1

Topological Properties
Globularity: 0.0574214	Sterimol/B1: 3.40577	Sterimol/B2: 3.58597	Sterimol/B3: 6.46137
Sterimol/B4: 6.5164	Sterimol/L: 15.9058

Surface and Volume Properties
Accessible surface: 594.198	Positive charged surface: 446.303	Negative charged surface: 147.895	Volume: 292.875
Hydrophobic surface: 503.722	Hydrophilic surface: 90.476

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.