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MMsINC code: MMs02276127

Type: Neutral
Formula: C₁₀H₁₉NO₄

SMILES:

OC(=O)C(N)C(CCCCC)CC(O)=O

InChI:

InChI=1/C10H19NO4/c1-2-3-4-5-7(6-8(12)13)9(11)10(14)15/h7,9H,2-6,11H2,1H3,(H,12,13)(H,14,15)/t7-,9+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=28.788 kcal/mol

Physical Properties
Molecular Weight: 217.265 g/mol	logS: -1.61992	SlogP: 1.0695	Reactive groups: 0

Topological Properties
Globularity: 0.13744	Sterimol/B1: 3.61741	Sterimol/B2: 3.7369	Sterimol/B3: 4.36852
Sterimol/B4: 4.82356	Sterimol/L: 12.5139

Surface and Volume Properties
Accessible surface: 443.12	Positive charged surface: 309.918	Negative charged surface: 133.202	Volume: 211.875
Hydrophobic surface: 201.577	Hydrophilic surface: 241.543

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 5	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

MMs02276128
NCID-ZINC01631058