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MMsINC code: MMs02880748

Type: Neutral
Formula: C₉H₁₈N₂O₃

SMILES:

O(C(=O)C(NC(=O)C(N)CCC)C)C

InChI:

InChI=1/C9H18N2O3/c1-4-5-7(10)8(12)11-6(2)9(13)14-3/h6-7H,4-5,10H2,1-3H3,(H,11,12)/t6-,7+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.661 kcal/mol

Physical Properties
Molecular Weight: 202.254 g/mol	logS: -1.23405	SlogP: -0.2085	Reactive groups: 0

Topological Properties
Globularity: 0.106514	Sterimol/B1: 2.38501	Sterimol/B2: 3.45157	Sterimol/B3: 3.78568
Sterimol/B4: 5.763	Sterimol/L: 14.7369

Surface and Volume Properties
Accessible surface: 448.934	Positive charged surface: 341.654	Negative charged surface: 107.279	Volume: 204.5
Hydrophobic surface: 283.577	Hydrophilic surface: 165.357

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

MMs02880749
PUBCHEM-ZINC02172688