MMsINC Database Search


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MMsINC code: MMs02691234

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(Nc1cc(NC(=O)C(C)(C)C)ccc1)C(C)(C)C

InChI:

InChI=1/C16H24N2O2/c1-15(2,3)13(19)17-11-8-7-9-12(10-11)18-14(20)16(4,5)6/h7-10H,1-6H3,(H,17,19)(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.6369 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -3.0144	SlogP: 3.6558	Reactive groups: 0

Topological Properties
Globularity: 0.0519187	Sterimol/B1: 2.74444	Sterimol/B2: 4.11935	Sterimol/B3: 4.18088
Sterimol/B4: 4.86943	Sterimol/L: 16.7209

Surface and Volume Properties
Accessible surface: 548.051	Positive charged surface: 354.392	Negative charged surface: 193.66	Volume: 291
Hydrophobic surface: 394.743	Hydrophilic surface: 153.308

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.