MMsINC Database Search


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MMsINC code: MMs03515396

Type: Neutral
Formula: C₁₆H₂₄N₂O₃

SMILES:

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

InChI:

InChI=1/C16H24N2O3/c1-3-5-6-7-12-17-16(20)18-14-10-8-13(9-11-14)15(19)21-4-2/h8-11H,3-7,12H2,1-2H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.8044 kcal/mol

Physical Properties
Molecular Weight: 292.379 g/mol	logS: -4.21177	SlogP: 3.5651	Reactive groups: 0

Topological Properties
Globularity: 0.0109881	Sterimol/B1: 2.64755	Sterimol/B2: 2.91558	Sterimol/B3: 3.80271
Sterimol/B4: 5.58261	Sterimol/L: 21.9774

Surface and Volume Properties
Accessible surface: 619.622	Positive charged surface: 450.011	Negative charged surface: 169.611	Volume: 303.875
Hydrophobic surface: 470.168	Hydrophilic surface: 149.454

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.