MMsINC Database Search


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MMsINC code: MMs03151523

Type: Neutral
Formula: C₉H₁₈N₂O₂

SMILES:

O=C(NC(C)C)C(=O)NCC(C)C

InChI:

InChI=1/C9H18N2O2/c1-6(2)5-10-8(12)9(13)11-7(3)4/h6-7H,5H2,1-4H3,(H,10,12)(H,11,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.5312 kcal/mol

Physical Properties
Molecular Weight: 186.255 g/mol	logS: -1.32085	SlogP: 0.2832	Reactive groups: 0

Topological Properties
Globularity: 0.0644357	Sterimol/B1: 2.1609	Sterimol/B2: 2.61356	Sterimol/B3: 4.17269
Sterimol/B4: 4.71182	Sterimol/L: 14.4134

Surface and Volume Properties
Accessible surface: 436.752	Positive charged surface: 305.406	Negative charged surface: 131.346	Volume: 198.75
Hydrophobic surface: 263.369	Hydrophilic surface: 173.383

Pharmacophoric Properties
Hydrogen bond donors: 2	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.