MMsINC Database Search


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MMsINC code: MMs00169754

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O(CC(=O)Nc1nccc(c1)C)c1cc(cc(C)c1C)C

InChI:

InChI=1/C17H20N2O2/c1-11-5-6-18-16(9-11)19-17(20)10-21-15-8-12(2)7-13(3)14(15)4/h5-9H,10H2,1-4H3,(H,18,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.0625 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -4.06704	SlogP: 3.33278	Reactive groups: 0

Topological Properties
Globularity: 0.00939583	Sterimol/B1: 2.531	Sterimol/B2: 2.64291	Sterimol/B3: 4.19919
Sterimol/B4: 5.50357	Sterimol/L: 17.809

Surface and Volume Properties
Accessible surface: 568.027	Positive charged surface: 380.638	Negative charged surface: 187.389	Volume: 291.375
Hydrophobic surface: 502.892	Hydrophilic surface: 65.135

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.