MMsINC Database Search


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MMsINC code: MMs02278391

Type: Neutral
Formula: C₇H₁₀N₂O₃

SMILES:

O=C1N(C)C(=O)NC(=O)C1(C)C

InChI:

InChI=1/C7H10N2O3/c1-7(2)4(10)8-6(12)9(3)5(7)11/h1-3H3,(H,8,10,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.1071 kcal/mol

Physical Properties
Molecular Weight: 170.168 g/mol	logS: -0.70726	SlogP: -0.2792	Reactive groups: 0

Topological Properties
Globularity: 0.234224	Sterimol/B1: 2.38273	Sterimol/B2: 3.27972	Sterimol/B3: 4.76792
Sterimol/B4: 4.85761	Sterimol/L: 9.30975

Surface and Volume Properties
Accessible surface: 330.168	Positive charged surface: 213.961	Negative charged surface: 116.207	Volume: 149.875
Hydrophobic surface: 164.415	Hydrophilic surface: 165.753

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.