MMsINC Database Search


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MMsINC code: MMs02395002

Type: Neutral
Formula: C₈H₁₄N₂O₂

SMILES:

O=C1NC(=O)N(CC1)CC(C)C

InChI:

InChI=1/C8H14N2O2/c1-6(2)5-10-4-3-7(11)9-8(10)12/h6H,3-5H2,1-2H3,(H,9,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-16.8347 kcal/mol

Physical Properties
Molecular Weight: 170.212 g/mol	logS: -0.64716	SlogP: 0.5843	Reactive groups: 0

Topological Properties
Globularity: 0.134764	Sterimol/B1: 2.8189	Sterimol/B2: 3.418	Sterimol/B3: 3.71713
Sterimol/B4: 3.86337	Sterimol/L: 11.5548

Surface and Volume Properties
Accessible surface: 356.269	Positive charged surface: 244.199	Negative charged surface: 112.071	Volume: 167.625
Hydrophobic surface: 202.149	Hydrophilic surface: 154.12

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: no related molecules available.