MMsINC Database Search


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MMsINC code: MMs00289093

Type: Neutral
Formula: C₁₅H₂₀N₂O₂

SMILES:

O=C1N(CC(C1)C(=O)NC(C)(C)C)c1ccccc1

InChI:

InChI=1/C15H20N2O2/c1-15(2,3)16-14(19)11-9-13(18)17(10-11)12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3,(H,16,19)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.244 kcal/mol

Physical Properties
Molecular Weight: 260.337 g/mol	logS: -2.42242	SlogP: 1.9542	Reactive groups: 0

Topological Properties
Globularity: 0.0474753	Sterimol/B1: 1.969	Sterimol/B2: 3.92173	Sterimol/B3: 4.6225
Sterimol/B4: 4.92636	Sterimol/L: 16.1279

Surface and Volume Properties
Accessible surface: 501.636	Positive charged surface: 320.73	Negative charged surface: 180.907	Volume: 265.875
Hydrophobic surface: 388.305	Hydrophilic surface: 113.331

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.