MMsINC Database Search


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MMsINC code: MMs02408176

Type: Neutral
Formula: C₆H₁₀N₂O₂

SMILES:

O=C1NC(=O)N(CC1C)C

InChI:

InChI=1/C6H10N2O2/c1-4-3-8(2)6(10)7-5(4)9/h4H,3H2,1-2H3,(H,7,9,10)/t4-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-19.7896 kcal/mol

Physical Properties
Molecular Weight: 142.158 g/mol	logS: -0.11818	SlogP: -0.1959	Reactive groups: 0

Topological Properties
Globularity: 0.266516	Sterimol/B1: 2.19139	Sterimol/B2: 2.55863	Sterimol/B3: 4.40982
Sterimol/B4: 5.20385	Sterimol/L: 8.95635

Surface and Volume Properties
Accessible surface: 307.129	Positive charged surface: 221.686	Negative charged surface: 85.4425	Volume: 133.25
Hydrophobic surface: 174.646	Hydrophilic surface: 132.483

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.