MMsINC Database Search


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MMsINC code: MMs00001633

Type: Neutral
Formula: C₁₁H₂₂N₂

SMILES:

N1CCCCC1C1CCN(CC1)C

InChI:

InChI=1/C11H22N2/c1-13-8-5-10(6-9-13)11-4-2-3-7-12-11/h10-12H,2-9H2,1H3/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=14.8932 kcal/mol

Physical Properties
Molecular Weight: 182.311 g/mol	logS: -0.63823	SlogP: 1.4703	Reactive groups: 0

Topological Properties
Globularity: 0.124045	Sterimol/B1: 2.77351	Sterimol/B2: 3.2696	Sterimol/B3: 3.64113
Sterimol/B4: 3.81039	Sterimol/L: 12.6531

Surface and Volume Properties
Accessible surface: 405.223	Positive charged surface: 370.8	Negative charged surface: 34.4229	Volume: 207.25
Hydrophobic surface: 394.39	Hydrophilic surface: 10.833

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

MMs00001634
ACDBLOCKS-ZINC03734771