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MMsINC code: MMs02276129

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+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.7845 kcal/mol

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

Topological Properties
Globularity: 0.128263	Sterimol/B1: 3.5844	Sterimol/B2: 3.66006	Sterimol/B3: 4.34408
Sterimol/B4: 5.0229	Sterimol/L: 12.4653

Surface and Volume Properties
Accessible surface: 445.129	Positive charged surface: 312.616	Negative charged surface: 132.513	Volume: 214.25
Hydrophobic surface: 202.526	Hydrophilic surface: 242.603

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

MMs02276130
NCID-ZINC01631059