MMsINC Database Search


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MMsINC code: MMs02217249

Type: Neutral
Formula: C₁₀H₁₈N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)CC)CC

InChI:

InChI=1/C10H18N2O2/c1-3-9(13)11-5-7-12(8-6-11)10(14)4-2/h3-8H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.7282 kcal/mol

Physical Properties
Molecular Weight: 198.266 g/mol	logS: -0.2908	SlogP: 0.4772	Reactive groups: 0

Topological Properties
Globularity: 0.0553183	Sterimol/B1: 2.55953	Sterimol/B2: 2.82966	Sterimol/B3: 3.17631
Sterimol/B4: 4.61167	Sterimol/L: 13.783

Surface and Volume Properties
Accessible surface: 420.593	Positive charged surface: 326.375	Negative charged surface: 94.2185	Volume: 205.25
Hydrophobic surface: 315.47	Hydrophilic surface: 105.123

Pharmacophoric Properties
Hydrogen bond donors: 0	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.