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MMsINC code: MMs00488670

Type: Neutral
Formula: C₁₅H₂₀N₂O₃

SMILES:

O(C(=O)c1ccc(NC(=O)CN2CCCCC2)cc1)C

InChI:

InChI=1/C15H20N2O3/c1-20-15(19)12-5-7-13(8-6-12)16-14(18)11-17-9-3-2-4-10-17/h5-8H,2-4,9-11H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.8236 kcal/mol

Physical Properties
Molecular Weight: 276.336 g/mol	logS: -2.62074	SlogP: 1.8976	Reactive groups: 0

Topological Properties
Globularity: 0.0394984	Sterimol/B1: 2.94304	Sterimol/B2: 3.05904	Sterimol/B3: 3.42816
Sterimol/B4: 4.71073	Sterimol/L: 17.9425

Surface and Volume Properties
Accessible surface: 540.289	Positive charged surface: 410.323	Negative charged surface: 129.967	Volume: 274.5
Hydrophobic surface: 461.614	Hydrophilic surface: 78.675

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

MMs00488671
CHEMBLOCK-ZINC00050218