MMsINC Database Search


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MMsINC code: MMs00463936

Type: Neutral
Formula: C₁₁H₂₀N₂O₃

SMILES:

OC(=O)C(NC(=O)C1NCCC1)CC(C)C

InChI:

InChI=1/C11H20N2O3/c1-7(2)6-9(11(15)16)13-10(14)8-4-3-5-12-8/h7-9,12H,3-6H2,1-2H3,(H,13,14)(H,15,16)/t8-,9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.943 kcal/mol

Physical Properties
Molecular Weight: 228.292 g/mol	logS: -1.63769	SlogP: 0.3539	Reactive groups: 0

Topological Properties
Globularity: 0.111757	Sterimol/B1: 2.53293	Sterimol/B2: 2.55279	Sterimol/B3: 4.55699
Sterimol/B4: 6.99622	Sterimol/L: 13.0198

Surface and Volume Properties
Accessible surface: 465.279	Positive charged surface: 337.271	Negative charged surface: 128.007	Volume: 228
Hydrophobic surface: 280.221	Hydrophilic surface: 185.058

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.