MMsINC Database Search


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MMsINC code: MMs02893444

Type: Neutral
Formula: C₁₄H₂₀N₂O₂

SMILES:

O(C(=O)N(C)C)c1cc2c(N(CC2(C)C)C)cc1

InChI:

InChI=1/C14H20N2O2/c1-14(2)9-16(5)12-7-6-10(8-11(12)14)18-13(17)15(3)4/h6-8H,9H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.063 kcal/mol

Physical Properties
Molecular Weight: 248.326 g/mol	logS: -1.98109	SlogP: 2.4744	Reactive groups: 0

Topological Properties
Globularity: 0.0934146	Sterimol/B1: 2.11019	Sterimol/B2: 3.409	Sterimol/B3: 4.85372
Sterimol/B4: 5.82973	Sterimol/L: 14.1391

Surface and Volume Properties
Accessible surface: 494.37	Positive charged surface: 398.863	Negative charged surface: 95.5068	Volume: 257
Hydrophobic surface: 418.336	Hydrophilic surface: 76.034

Pharmacophoric Properties
Hydrogen bond donors: 0	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.