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PUBCHEM-ZINC03620916

MMsINC code: MMs03024218

Type: Neutral
Formula: C₇H₁₄N₂O₂

SMILES:

O(CCN1CCCC1)C(=O)N

InChI:

InChI=1/C7H14N2O2/c8-7(10)11-6-5-9-3-1-2-4-9/h1-6H2,(H2,8,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-2.19427 kcal/mol

MOE's Descriptors

Physical Properties
Molecular Weight: 158.201 g/mol	logS: -0.39619	SlogP: 0.1775	Reactive groups: 0

Topological Properties
Globularity: 0.166936	Sterimol/B1: 2.31693	Sterimol/B2: 2.51859	Sterimol/B3: 4.57839
Sterimol/B4: 4.58944	Sterimol/L: 11.7164

Surface and Volume Properties
Accessible surface: 368.85	Positive charged surface: 300.202	Negative charged surface: 68.6482	Volume: 158
Hydrophobic surface: 241.215	Hydrophilic surface: 127.635

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs03024219
PUBCHEM-ZINC03620916