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MMsINC code: MMs00355115

Type: Neutral
Formula: C₁₁H₂₁N₃O₂

SMILES:

O1CCN(CC1)C(=O)N1CCN(CC1)CC

InChI:

InChI=1/C11H21N3O2/c1-2-12-3-5-13(6-4-12)11(15)14-7-9-16-10-8-14/h2-10H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.127 kcal/mol

Physical Properties
Molecular Weight: 227.308 g/mol	logS: -0.05777	SlogP: 0.0761	Reactive groups: 0

Topological Properties
Globularity: 0.0820808	Sterimol/B1: 2.74854	Sterimol/B2: 3.41389	Sterimol/B3: 3.63669
Sterimol/B4: 5.59827	Sterimol/L: 14.0138

Surface and Volume Properties
Accessible surface: 448.886	Positive charged surface: 388.442	Negative charged surface: 60.4443	Volume: 227.625
Hydrophobic surface: 379.91	Hydrophilic surface: 68.976

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs00355116
ASINEX-ZINC04600390