MMsINC Database Search


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MMsINC code: MMs01255938

Type: Neutral
Formula: C₁₇H₁₉NO₂

SMILES:

O(C)c1ccccc1CNC(=O)c1cc(cc(c1)C)C

InChI:

InChI=1/C17H19NO2/c1-12-8-13(2)10-15(9-12)17(19)18-11-14-6-4-5-7-16(14)20-3/h4-10H,11H2,1-3H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.8112 kcal/mol

Physical Properties
Molecular Weight: 269.344 g/mol	logS: -4.29713	SlogP: 3.50844	Reactive groups: 0

Topological Properties
Globularity: 0.134893	Sterimol/B1: 2.10437	Sterimol/B2: 3.60672	Sterimol/B3: 5.97369
Sterimol/B4: 7.29477	Sterimol/L: 15.2741

Surface and Volume Properties
Accessible surface: 545.492	Positive charged surface: 356.48	Negative charged surface: 189.012	Volume: 279.375
Hydrophobic surface: 499.553	Hydrophilic surface: 45.939

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.