MMsINC Database Search


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MMsINC code: MMs02190999

Type: Neutral
Formula: C₁₀H₁₄N₂O₂

SMILES:

O(CC)c1cc(N)c(NC(=O)C)cc1

InChI:

InChI=1/C10H14N2O2/c1-3-14-8-4-5-10(9(11)6-8)12-7(2)13/h4-6H,3,11H2,1-2H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.9324 kcal/mol

Physical Properties
Molecular Weight: 194.234 g/mol	logS: -1.6928	SlogP: 1.6259	Reactive groups: 0

Topological Properties
Globularity: 0.0183491	Sterimol/B1: 2.44704	Sterimol/B2: 2.49553	Sterimol/B3: 3.2346
Sterimol/B4: 5.22923	Sterimol/L: 13.8669

Surface and Volume Properties
Accessible surface: 420.974	Positive charged surface: 286.448	Negative charged surface: 134.525	Volume: 194.375
Hydrophobic surface: 291.648	Hydrophilic surface: 129.326

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.