MMsINC Database Search


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MMsINC code: MMs03002372

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(N(CC)CC)c1ccc(NC(=O)CCCC)cc1

InChI:

InChI=1/C16H24N2O2/c1-4-7-8-15(19)17-14-11-9-13(10-12-14)16(20)18(5-2)6-3/h9-12H,4-8H2,1-3H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8548 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -3.5211	SlogP: 3.2973	Reactive groups: 0

Topological Properties
Globularity: 0.0384414	Sterimol/B1: 2.60667	Sterimol/B2: 3.24363	Sterimol/B3: 4.29683
Sterimol/B4: 5.29451	Sterimol/L: 18.5601

Surface and Volume Properties
Accessible surface: 563.637	Positive charged surface: 393.972	Negative charged surface: 169.665	Volume: 290.125
Hydrophobic surface: 426.007	Hydrophilic surface: 137.63

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.