MMsINC Database Search


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MMsINC code: MMs01211303

Type: Neutral
Formula: C₁₄H₂₄N₂O

SMILES:

O=C(NC(C)C)c1n(CC)c(C)c(CC)c1C

InChI:

InChI=1/C14H24N2O/c1-7-12-10(5)13(14(17)15-9(3)4)16(8-2)11(12)6/h9H,7-8H2,1-6H3,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=15.1807 kcal/mol

Physical Properties
Molecular Weight: 236.359 g/mol	logS: -2.15234	SlogP: 3.09181	Reactive groups: 0

Topological Properties
Globularity: 0.126782	Sterimol/B1: 2.49783	Sterimol/B2: 2.63993	Sterimol/B3: 4.72665
Sterimol/B4: 7.76617	Sterimol/L: 13.0642

Surface and Volume Properties
Accessible surface: 499.127	Positive charged surface: 348.41	Negative charged surface: 150.717	Volume: 265.375
Hydrophobic surface: 378.527	Hydrophilic surface: 120.6

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