MMsINC Database Search


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MMsINC code: MMs00984038

Type: Neutral
Formula: C₁₅H₂₄N₂O₃

SMILES:

O(C(=O)c1n(CC)c(C)c(C(=O)NC(C)C)c1C)CC

InChI:

InChI=1/C15H24N2O3/c1-7-17-11(6)12(14(18)16-9(3)4)10(5)13(17)15(19)20-8-2/h9H,7-8H2,1-6H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.0311 kcal/mol

Physical Properties
Molecular Weight: 280.368 g/mol	logS: -2.18559	SlogP: 2.70614	Reactive groups: 0

Topological Properties
Globularity: 0.0612561	Sterimol/B1: 2.51327	Sterimol/B2: 2.62732	Sterimol/B3: 4.69144
Sterimol/B4: 6.74828	Sterimol/L: 16.3232

Surface and Volume Properties
Accessible surface: 545.059	Positive charged surface: 372.999	Negative charged surface: 172.06	Volume: 290.875
Hydrophobic surface: 393.71	Hydrophilic surface: 151.349

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: no related molecules available.