MMsINC Database Search


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MMsINC code: MMs00593195

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O(CC(C)C)c1ccc(cc1)C(=O)Nc1nccc(c1)C

InChI:

InChI=1/C17H20N2O2/c1-12(2)11-21-15-6-4-14(5-7-15)17(20)19-16-10-13(3)8-9-18-16/h4-10,12H,11H2,1-3H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.9614 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -3.66304	SlogP: 3.67712	Reactive groups: 0

Topological Properties
Globularity: 0.0131461	Sterimol/B1: 2.27761	Sterimol/B2: 2.8026	Sterimol/B3: 3.22657
Sterimol/B4: 6.8198	Sterimol/L: 18.4153

Surface and Volume Properties
Accessible surface: 570.109	Positive charged surface: 379.718	Negative charged surface: 190.391	Volume: 289.625
Hydrophobic surface: 472.108	Hydrophilic surface: 98.001

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.