MMsINC Database Search


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MMsINC code: MMs00305197

Type: Neutral
Formula: C₁₆H₂₂N₂O₃

SMILES:

O1c2c(N(CCC(=O)N(CCC)CCC)C1=O)cccc2

InChI:

InChI=1/C16H22N2O3/c1-3-10-17(11-4-2)15(19)9-12-18-13-7-5-6-8-14(13)21-16(18)20/h5-8H,3-4,9-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.7187 kcal/mol

Physical Properties
Molecular Weight: 290.363 g/mol	logS: -3.06283	SlogP: 3.0441	Reactive groups: 0

Topological Properties
Globularity: 0.0931388	Sterimol/B1: 2.329	Sterimol/B2: 3.36688	Sterimol/B3: 4.77637
Sterimol/B4: 7.93405	Sterimol/L: 16.077

Surface and Volume Properties
Accessible surface: 559.152	Positive charged surface: 365.008	Negative charged surface: 194.144	Volume: 291.125
Hydrophobic surface: 423.227	Hydrophilic surface: 135.925

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.