MMsINC Database Search


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MMsINC code: MMs01535417

Type: Neutral
Formula: C₁₀H₁₀N₂O₃

SMILES:

O=C1NC(=O)Cc2[nH]c(C(=O)C)c(c12)C

InChI:

InChI=1/C10H10N2O3/c1-4-8-6(11-9(4)5(2)13)3-7(14)12-10(8)15/h11H,3H2,1-2H3,(H,12,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=35.2941 kcal/mol

Physical Properties
Molecular Weight: 206.201 g/mol	logS: -1.32399	SlogP: 0.33819	Reactive groups: 0

Topological Properties
Globularity: 0.0288496	Sterimol/B1: 2.06146	Sterimol/B2: 2.38276	Sterimol/B3: 2.51175
Sterimol/B4: 6.3085	Sterimol/L: 11.7805

Surface and Volume Properties
Accessible surface: 383.449	Positive charged surface: 224.644	Negative charged surface: 158.805	Volume: 183
Hydrophobic surface: 201.51	Hydrophilic surface: 181.939

Pharmacophoric Properties
Hydrogen bond donors: 2	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.