MMsINC Database Search


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MMsINC code: MMs00746889

Type: Neutral
Formula: C₁₄H₂₄N₂O₂

SMILES:

O=C(N1CCCCC1)C(=O)NC1CCCCCC1

InChI:

InChI=1/C14H24N2O2/c17-13(14(18)16-10-6-3-7-11-16)15-12-8-4-1-2-5-9-12/h12H,1-11H2,(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5223 kcal/mol

Physical Properties
Molecular Weight: 252.358 g/mol	logS: -2.5702	SlogP: 1.8379	Reactive groups: 0

Topological Properties
Globularity: 0.0882034	Sterimol/B1: 2.82609	Sterimol/B2: 3.57892	Sterimol/B3: 4.17746
Sterimol/B4: 5.30479	Sterimol/L: 14.5691

Surface and Volume Properties
Accessible surface: 493.681	Positive charged surface: 387.245	Negative charged surface: 106.436	Volume: 257.875
Hydrophobic surface: 427.601	Hydrophilic surface: 66.08

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.