MMsINC Database Search


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MMsINC code: MMs02212775

Type: Neutral
Formula: C₁₆H₂₄N₂O₂

SMILES:

O=C(N(CC)CC)c1ccccc1C(=O)N(CC)CC

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.8138 kcal/mol

Physical Properties
Molecular Weight: 276.38 g/mol	logS: -2.774	SlogP: 2.6506	Reactive groups: 0

Topological Properties
Globularity: 0.152698	Sterimol/B1: 2.35514	Sterimol/B2: 3.8385	Sterimol/B3: 5.37485
Sterimol/B4: 7.52614	Sterimol/L: 12.7886

Surface and Volume Properties
Accessible surface: 516.307	Positive charged surface: 354.131	Negative charged surface: 162.175	Volume: 292.625
Hydrophobic surface: 400.833	Hydrophilic surface: 115.474

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.