MMsINC Database Search


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MMsINC code: MMs01229804

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(NC(C)C)c1ccccc1C(=O)NC(C)C

InChI:

InChI=1/C14H20N2O2/c1-9(2)15-13(17)11-7-5-6-8-12(11)14(18)16-10(3)4/h5-10H,1-4H3,(H,15,17)(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4292 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -2.98598	SlogP: 1.963	Reactive groups: 0

Topological Properties
Globularity: 0.0700638	Sterimol/B1: 2.38906	Sterimol/B2: 2.93362	Sterimol/B3: 3.82893
Sterimol/B4: 8.72966	Sterimol/L: 13.6621

Surface and Volume Properties
Accessible surface: 509.864	Positive charged surface: 337.924	Negative charged surface: 171.94	Volume: 256.5
Hydrophobic surface: 377.783	Hydrophilic surface: 132.081

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.