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MMsINC code: MMs03098051

Type: Neutral
Formula: C₁₄H₂₀N₂O₃

SMILES:

OC(=O)C(NCC(C)C)CC(=O)Nc1ccccc1

InChI:

InChI=1/C14H20N2O3/c1-10(2)9-15-12(14(18)19)8-13(17)16-11-6-4-3-5-7-11/h3-7,10,12,15H,8-9H2,1-2H3,(H,16,17)(H,18,19)/t12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.489 kcal/mol

Physical Properties
Molecular Weight: 264.325 g/mol	logS: -1.96242	SlogP: 1.714	Reactive groups: 0

Topological Properties
Globularity: 0.0996896	Sterimol/B1: 2.33405	Sterimol/B2: 3.05444	Sterimol/B3: 4.15474
Sterimol/B4: 8.40096	Sterimol/L: 13.9754

Surface and Volume Properties
Accessible surface: 523.485	Positive charged surface: 349.158	Negative charged surface: 174.326	Volume: 266.375
Hydrophobic surface: 365.167	Hydrophilic surface: 158.318

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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.