MMsINC Database Search


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MMsINC code: MMs00742553

Type: Neutral
Formula: C₁₄H₂₄N₂O₂

SMILES:

O=C(N1CC(CCC1)C)C(=O)N1CC(CCC1)C

InChI:

InChI=1/C14H24N2O2/c1-11-5-3-7-15(9-11)13(17)14(18)16-8-4-6-12(2)10-16/h11-12H,3-10H2,1-2H3/t11-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.8385 kcal/mol

Physical Properties
Molecular Weight: 252.358 g/mol	logS: -1.63554	SlogP: 1.5034	Reactive groups: 0

Topological Properties
Globularity: 0.0655275	Sterimol/B1: 3.23018	Sterimol/B2: 3.29141	Sterimol/B3: 3.54823
Sterimol/B4: 5.0768	Sterimol/L: 15.395

Surface and Volume Properties
Accessible surface: 490.939	Positive charged surface: 371.276	Negative charged surface: 119.663	Volume: 261.875
Hydrophobic surface: 392.587	Hydrophilic surface: 98.352

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.