MMsINC Database Search


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MMsINC code: MMs02864285

Type: Neutral
Formula: C₁₄H₃₀N₂O₂

SMILES:

O(CCCC)C(=O)NC(CCCN(CC)CC)C

InChI:

InChI=1/C14H30N2O2/c1-5-8-12-18-14(17)15-13(4)10-9-11-16(6-2)7-3/h13H,5-12H2,1-4H3,(H,15,17)/t13-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.63813 kcal/mol

Physical Properties
Molecular Weight: 258.406 g/mol	logS: -2.16719	SlogP: 3.0232	Reactive groups: 0

Topological Properties
Globularity: 0.0862923	Sterimol/B1: 2.4074	Sterimol/B2: 3.60784	Sterimol/B3: 4.94992
Sterimol/B4: 8.15417	Sterimol/L: 16.7324

Surface and Volume Properties
Accessible surface: 599.562	Positive charged surface: 467.649	Negative charged surface: 131.914	Volume: 292.875
Hydrophobic surface: 456.287	Hydrophilic surface: 143.275

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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

MMs02864286
PUBCHEM-ZINC02044174