MMsINC Database Search


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

MMsINC code: MMs00451149

Type: Neutral
Formula: C₁₄H₂₆N₂O₃

SMILES:

OC(=O)C1CCC(CC1)CNC(=O)C(N)CC(C)C

InChI:

InChI=1/C14H26N2O3/c1-9(2)7-12(15)13(17)16-8-10-3-5-11(6-4-10)14(18)19/h9-12H,3-8,15H2,1-2H3,(H,16,17)(H,18,19)/t10-,11-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.0068 kcal/mol

Physical Properties
Molecular Weight: 270.373 g/mol	logS: -1.79846	SlogP: 1.367	Reactive groups: 0

Topological Properties
Globularity: 0.0581987	Sterimol/B1: 2.43101	Sterimol/B2: 2.64081	Sterimol/B3: 4.53156
Sterimol/B4: 6.34054	Sterimol/L: 15.4659

Surface and Volume Properties
Accessible surface: 537.401	Positive charged surface: 389.233	Negative charged surface: 148.168	Volume: 276.375
Hydrophobic surface: 320.46	Hydrophilic surface: 216.941

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.