MMsINC Database Search


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MMsINC code: MMs02003430

Type: Neutral
Formula: C₁₃H₂₄N₂O₂

SMILES:

O=C(NC1CCCCC1)C(=O)NCCCCC

InChI:

InChI=1/C13H24N2O2/c1-2-3-7-10-14-12(16)13(17)15-11-8-5-4-6-9-11/h11H,2-10H2,1H3,(H,14,16)(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=21.6257 kcal/mol

Physical Properties
Molecular Weight: 240.347 g/mol	logS: -2.96624	SlogP: 1.7417	Reactive groups: 0

Topological Properties
Globularity: 0.0268744	Sterimol/B1: 3.0981	Sterimol/B2: 3.29238	Sterimol/B3: 3.62579
Sterimol/B4: 3.72415	Sterimol/L: 18.7106

Surface and Volume Properties
Accessible surface: 527.628	Positive charged surface: 406.721	Negative charged surface: 120.908	Volume: 258.25
Hydrophobic surface: 407.56	Hydrophilic surface: 120.068

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.