MMsINC Database Search


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MMsINC code: MMs00277765

Type: Neutral
Formula: C₁₀H₂₀N₂O₂

SMILES:

O=C(NC(CC)C)C(=O)NC(CC)C

InChI:

InChI=1/C10H20N2O2/c1-5-7(3)11-9(13)10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3,(H,11,13)(H,12,14)/t7-,8+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=23.319 kcal/mol

Physical Properties
Molecular Weight: 200.282 g/mol	logS: -1.64806	SlogP: 0.8158	Reactive groups: 0

Topological Properties
Globularity: 0.0533614	Sterimol/B1: 2.40028	Sterimol/B2: 2.92721	Sterimol/B3: 3.3354
Sterimol/B4: 5.80452	Sterimol/L: 13.2932

Surface and Volume Properties
Accessible surface: 459.766	Positive charged surface: 320.222	Negative charged surface: 139.544	Volume: 214.625
Hydrophobic surface: 296.695	Hydrophilic surface: 163.071

Pharmacophoric Properties
Hydrogen bond donors: 2	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.