MMsINC Database Search


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MMsINC code: MMs01631041

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

OCCN(CC(=O)Nc1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C17H20N2O2/c1-14-7-9-15(10-8-14)18-17(21)13-19(11-12-20)16-5-3-2-4-6-16/h2-10,20H,11-13H2,1H3,(H,18,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.072 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -3.5801	SlogP: 2.43242	Reactive groups: 0

Topological Properties
Globularity: 0.0735611	Sterimol/B1: 2.55945	Sterimol/B2: 4.26079	Sterimol/B3: 4.7576
Sterimol/B4: 5.50593	Sterimol/L: 15.4765

Surface and Volume Properties
Accessible surface: 547.642	Positive charged surface: 366.998	Negative charged surface: 180.645	Volume: 289.875
Hydrophobic surface: 461.642	Hydrophilic surface: 86

Pharmacophoric Properties
Hydrogen bond donors: 2	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.