MMsINC Database Search


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MMsINC code: MMs02307950

Type: Neutral
Formula: C₁₁H₂₄N₂O₂

SMILES:

O(CCN(C(C)C)C)C(=O)N(CC)CC

InChI:

InChI=1/C11H24N2O2/c1-6-13(7-2)11(14)15-9-8-12(5)10(3)4/h10H,6-9H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.9074 kcal/mol

Physical Properties
Molecular Weight: 216.325 g/mol	logS: -0.94067	SlogP: 1.805	Reactive groups: 0

Topological Properties
Globularity: 0.0607656	Sterimol/B1: 2.38272	Sterimol/B2: 2.85828	Sterimol/B3: 3.43007
Sterimol/B4: 6.45876	Sterimol/L: 14.4552

Surface and Volume Properties
Accessible surface: 466.279	Positive charged surface: 364.626	Negative charged surface: 101.653	Volume: 238.625
Hydrophobic surface: 357.066	Hydrophilic surface: 109.213

Pharmacophoric Properties
Hydrogen bond donors: 0	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

MMs02307951
NCID-ZINC01671854