MMsINC Database Search


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MMsINC code: MMs01179609

Type: Neutral
Formula: C₁₉H₂₀N₂O₂

SMILES:

o1c2c(cc1C(=O)N(Cc1ncccc1)C(C)(C)C)cccc2

InChI:

InChI=1/C19H20N2O2/c1-19(2,3)21(13-15-9-6-7-11-20-15)18(22)17-12-14-8-4-5-10-16(14)23-17/h4-12H,13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.602 kcal/mol

Physical Properties
Molecular Weight: 308.381 g/mol	logS: -4.66758	SlogP: 4.5351	Reactive groups: 0

Topological Properties
Globularity: 0.138939	Sterimol/B1: 2.34585	Sterimol/B2: 3.68098	Sterimol/B3: 4.05733
Sterimol/B4: 7.3965	Sterimol/L: 14.7957

Surface and Volume Properties
Accessible surface: 524.514	Positive charged surface: 320.838	Negative charged surface: 198.306	Volume: 304.375
Hydrophobic surface: 446.253	Hydrophilic surface: 78.261

Pharmacophoric Properties
Hydrogen bond donors: 0	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.