MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03027422

Type: Neutral
Formula: C₁₄H₂₆N₂O₂

SMILES:

O=C(N1CCN(CC1)C(=O)CCCC)CCCC

InChI:

InChI=1/C14H26N2O2/c1-3-5-7-13(17)15-9-11-16(12-10-15)14(18)8-6-4-2/h3-12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=32.5467 kcal/mol

Physical Properties
Molecular Weight: 254.374 g/mol	logS: -2.35168	SlogP: 2.0376	Reactive groups: 0

Topological Properties
Globularity: 0.0285308	Sterimol/B1: 2.42916	Sterimol/B2: 2.80309	Sterimol/B3: 3.21413
Sterimol/B4: 5.65651	Sterimol/L: 18.3045

Surface and Volume Properties
Accessible surface: 543.84	Positive charged surface: 434.642	Negative charged surface: 109.198	Volume: 275.5
Hydrophobic surface: 435.044	Hydrophilic surface: 108.796

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.