MMsINC Database Search


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MMsINC code: MMs00792677

Type: Neutral
Formula: C₂₀H₂₄N₂O₃

SMILES:

o1cccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C20H24N2O3/c1-20(2,3)16-8-6-15(7-9-16)18(23)21-10-12-22(13-11-21)19(24)17-5-4-14-25-17/h4-9,14H,10-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.299 kcal/mol

Physical Properties
Molecular Weight: 340.423 g/mol	logS: -5.17949	SlogP: 3.1753	Reactive groups: 0

Topological Properties
Globularity: 0.0465921	Sterimol/B1: 3.28938	Sterimol/B2: 3.90198	Sterimol/B3: 4.01811
Sterimol/B4: 4.98461	Sterimol/L: 19.065

Surface and Volume Properties
Accessible surface: 603.14	Positive charged surface: 382.346	Negative charged surface: 220.793	Volume: 337.625
Hydrophobic surface: 483.073	Hydrophilic surface: 120.067

Pharmacophoric Properties
Hydrogen bond donors: 0	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.