MMsINC Database Search


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MMsINC code: MMs01521332

Type: Neutral
Formula: C₁₉H₂₈N₂O₃

SMILES:

O(CC(=O)NC(=O)NC1CCCCC1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C19H28N2O3/c1-19(2,3)14-9-11-16(12-10-14)24-13-17(22)21-18(23)20-15-7-5-4-6-8-15/h9-12,15H,4-8,13H2,1-3H3,(H2,20,21,22,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.1435 kcal/mol

Physical Properties
Molecular Weight: 332.444 g/mol	logS: -5.32708	SlogP: 3.5214	Reactive groups: 0

Topological Properties
Globularity: 0.0239896	Sterimol/B1: 2.24777	Sterimol/B2: 3.81322	Sterimol/B3: 4.20619
Sterimol/B4: 4.84718	Sterimol/L: 21.0995

Surface and Volume Properties
Accessible surface: 642.688	Positive charged surface: 447.834	Negative charged surface: 194.854	Volume: 340.75
Hydrophobic surface: 483.747	Hydrophilic surface: 158.941

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.