MMsINC Database Search


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MMsINC code: MMs03148391

Type: Neutral
Formula: C₁₁H₁₈N₂

SMILES:

n1(cccc1CNC1CCCC1)C

InChI:

InChI=1/C11H18N2/c1-13-8-4-7-11(13)9-12-10-5-2-3-6-10/h4,7-8,10,12H,2-3,5-6,9H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.2701 kcal/mol

Physical Properties
Molecular Weight: 178.279 g/mol	logS: -0.57145	SlogP: 2.6829	Reactive groups: 0

Topological Properties
Globularity: 0.0945148	Sterimol/B1: 2.01853	Sterimol/B2: 3.20482	Sterimol/B3: 3.35385
Sterimol/B4: 6.01899	Sterimol/L: 12.5438

Surface and Volume Properties
Accessible surface: 419.152	Positive charged surface: 316.366	Negative charged surface: 102.786	Volume: 202.625
Hydrophobic surface: 376.231	Hydrophilic surface: 42.921

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	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

MMs03148392
PUBCHEM-ZINC04657549