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MMsINC code: MMs02889568

Type: Neutral
Formula: C₁₇H₂₄N₂O₂

SMILES:

O=C(N\C(=C/c1ccccc1)\C(=O)N(C(C)C)C(C)C)C

InChI:

InChI=1/C17H24N2O2/c1-12(2)19(13(3)4)17(21)16(18-14(5)20)11-15-9-7-6-8-10-15/h6-13H,1-5H3,(H,18,20)/b16-11+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.7032 kcal/mol

Physical Properties
Molecular Weight: 288.391 g/mol	logS: -3.48516	SlogP: 2.809	Reactive groups: 0

Topological Properties
Globularity: 0.318209	Sterimol/B1: 3.00375	Sterimol/B2: 4.73417	Sterimol/B3: 5.43727
Sterimol/B4: 5.69639	Sterimol/L: 13.4552

Surface and Volume Properties
Accessible surface: 501.171	Positive charged surface: 329.5	Negative charged surface: 171.671	Volume: 300.5
Hydrophobic surface: 397.937	Hydrophilic surface: 103.234

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs02889569
PUBCHEM-ZINC02495431