MMsINC Database Search


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MMsINC code: MMs00853587

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O=C(N(C(C)C)C(C)C)c1ccc(cc1)C(=O)N

InChI:

InChI=1/C14H20N2O2/c1-9(2)16(10(3)4)14(18)12-7-5-11(6-8-12)13(15)17/h5-10H,1-4H3,(H2,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=234.785 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -2.98598	SlogP: 2.0445	Reactive groups: 0

Topological Properties
Globularity: 0.122457	Sterimol/B1: 2.33142	Sterimol/B2: 2.50367	Sterimol/B3: 5.25687
Sterimol/B4: 6.06919	Sterimol/L: 14.0859

Surface and Volume Properties
Accessible surface: 462.119	Positive charged surface: 282.722	Negative charged surface: 179.397	Volume: 248.25
Hydrophobic surface: 260.151	Hydrophilic surface: 201.968

Pharmacophoric Properties
Hydrogen bond donors: 1	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.