MMsINC Database Search


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MMsINC code: MMs02141975

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(NNc1cc(C)c(cc1)C)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H24N2O/c1-13-6-11-17(12-14(13)2)20-21-18(22)15-7-9-16(10-8-15)19(3,4)5/h6-12,20H,1-5H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.671 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -6.01958	SlogP: 4.35784	Reactive groups: 0

Topological Properties
Globularity: 0.0202222	Sterimol/B1: 2.41333	Sterimol/B2: 3.61957	Sterimol/B3: 3.62902
Sterimol/B4: 6.64436	Sterimol/L: 17.9541

Surface and Volume Properties
Accessible surface: 585.419	Positive charged surface: 348.14	Negative charged surface: 237.279	Volume: 318.5
Hydrophobic surface: 472.343	Hydrophilic surface: 113.076

Pharmacophoric Properties
Hydrogen bond donors: 2	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.