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MMsINC code: MMs00572410

Type: Neutral
Formula: C₁₇H₂₀N₂O₂

SMILES:

O(C)c1ccc(cc1)C(=O)N1CCn2c(ccc2C)C1C

InChI:

InChI=1/C17H20N2O2/c1-12-4-9-16-13(2)19(11-10-18(12)16)17(20)14-5-7-15(21-3)8-6-14/h4-9,13H,10-11H2,1-3H3/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.7978 kcal/mol

Physical Properties
Molecular Weight: 284.359 g/mol	logS: -2.52289	SlogP: 3.38402	Reactive groups: 0

Topological Properties
Globularity: 0.0485629	Sterimol/B1: 1.969	Sterimol/B2: 2.9057	Sterimol/B3: 3.91877
Sterimol/B4: 8.20909	Sterimol/L: 15.2066

Surface and Volume Properties
Accessible surface: 518.517	Positive charged surface: 353.205	Negative charged surface: 165.312	Volume: 283.75
Hydrophobic surface: 459.734	Hydrophilic surface: 58.783

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.