MMsINC Database Search


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MMsINC code: MMs00708123

Type: Neutral
Formula: C₁₀H₂₀N₂O₂

SMILES:

O=C(NC(C)C)C(=O)NCCC(C)C

InChI:

InChI=1/C10H20N2O2/c1-7(2)5-6-11-9(13)10(14)12-8(3)4/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=27.2101 kcal/mol

Physical Properties
Molecular Weight: 200.282 g/mol	logS: -2.14952	SlogP: 0.6733	Reactive groups: 0

Topological Properties
Globularity: 0.0509539	Sterimol/B1: 2.43153	Sterimol/B2: 2.9278	Sterimol/B3: 3.73495
Sterimol/B4: 4.21378	Sterimol/L: 15.7686

Surface and Volume Properties
Accessible surface: 464.136	Positive charged surface: 330.604	Negative charged surface: 133.533	Volume: 215.875
Hydrophobic surface: 283.837	Hydrophilic surface: 180.299

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.