MMsINC Database Search


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MMsINC code: MMs03912451

Type: Neutral
Formula: C₁₅H₁₈N₂O₂

SMILES:

o1cccc1CN(C(=O)Nc1cc(C)c(cc1)C)C

InChI:

InChI=1/C15H18N2O2/c1-11-6-7-13(9-12(11)2)16-15(18)17(3)10-14-5-4-8-19-14/h4-9H,10H2,1-3H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.3371 kcal/mol

Physical Properties
Molecular Weight: 258.321 g/mol	logS: -3.78951	SlogP: 3.82674	Reactive groups: 0

Topological Properties
Globularity: 0.0398782	Sterimol/B1: 3.1351	Sterimol/B2: 3.24354	Sterimol/B3: 3.61538
Sterimol/B4: 6.19329	Sterimol/L: 15.2477

Surface and Volume Properties
Accessible surface: 516.62	Positive charged surface: 320.031	Negative charged surface: 196.589	Volume: 263
Hydrophobic surface: 470.088	Hydrophilic surface: 46.532

Pharmacophoric Properties
Hydrogen bond donors: 1	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.