MMsINC Database Search


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MMsINC code: MMs02304721

Type: Neutral
Formula: C₁₀H₂₀N₂O₄

SMILES:

O(CC)C(=O)NCCCCNC(OCC)=O

InChI:

InChI=1/C10H20N2O4/c1-3-15-9(13)11-7-5-6-8-12-10(14)16-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-27.9591 kcal/mol

Physical Properties
Molecular Weight: 232.28 g/mol	logS: -1.14728	SlogP: 1.2588	Reactive groups: 0

Topological Properties
Globularity: 0.0129	Sterimol/B1: 2.37482	Sterimol/B2: 2.37602	Sterimol/B3: 2.79311
Sterimol/B4: 3.9099	Sterimol/L: 20.5273

Surface and Volume Properties
Accessible surface: 525.603	Positive charged surface: 410.095	Negative charged surface: 115.507	Volume: 235.375
Hydrophobic surface: 347.414	Hydrophilic surface: 178.189

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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: no related molecules available.