MMsINC Database Search


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MMsINC code: MMs02283362

Type: Neutral
Formula: C₁₅H₁₈N₂O₂

SMILES:

O=C(C(=O)N(C)C)c1c2c(n(CC)c1C)cccc2

InChI:

InChI=1/C15H18N2O2/c1-5-17-10(2)13(14(18)15(19)16(3)4)11-8-6-7-9-12(11)17/h6-9H,5H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.6987 kcal/mol

Physical Properties
Molecular Weight: 258.321 g/mol	logS: -2.58088	SlogP: 2.50692	Reactive groups: 0

Topological Properties
Globularity: 0.111243	Sterimol/B1: 2.54505	Sterimol/B2: 4.25904	Sterimol/B3: 4.94777
Sterimol/B4: 6.36687	Sterimol/L: 13.3472

Surface and Volume Properties
Accessible surface: 483.57	Positive charged surface: 321.922	Negative charged surface: 157.558	Volume: 264.125
Hydrophobic surface: 401.391	Hydrophilic surface: 82.179

Pharmacophoric Properties
Hydrogen bond donors: 0	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.