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MMsINC code: MMs01855755

Type: Neutral
Formula: C₁₀H₂₀N₂O₃

SMILES:

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

InChI:

InChI=1/C10H20N2O3/c1-4-6-12(7-5-2)10(15)11-8(3)9(13)14/h8H,4-7H2,1-3H3,(H,11,15)(H,13,14)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-5.20903 kcal/mol

Physical Properties
Molecular Weight: 216.281 g/mol	logS: -0.87935	SlogP: 1.2911	Reactive groups: 0

Topological Properties
Globularity: 0.0891705	Sterimol/B1: 2.30112	Sterimol/B2: 2.928	Sterimol/B3: 3.34246
Sterimol/B4: 7.98804	Sterimol/L: 13.4147

Surface and Volume Properties
Accessible surface: 460.006	Positive charged surface: 324.563	Negative charged surface: 135.442	Volume: 223
Hydrophobic surface: 282.363	Hydrophilic surface: 177.643

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

MMs01855756
IBS-ZINC02412717