MMsINC Database Search


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MMsINC code: MMs03030015

Type: Neutral
Formula: C₆H₁₀N₂

SMILES:

[nH]1nccc1CCC

InChI:

InChI=1/C6H10N2/c1-2-3-6-4-5-7-8-6/h4-5H,2-3H2,1H3,(H,7,8)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=10.5183 kcal/mol

Physical Properties
Molecular Weight: 110.16 g/mol	logS: -0.8513	SlogP: 1.36217	Reactive groups: 0

Topological Properties
Globularity: 0.0981636	Sterimol/B1: 2.64656	Sterimol/B2: 3.0499	Sterimol/B3: 3.2431
Sterimol/B4: 3.65786	Sterimol/L: 10.3282

Surface and Volume Properties
Accessible surface: 303.262	Positive charged surface: 227.175	Negative charged surface: 76.0865	Volume: 121.875
Hydrophobic surface: 217.529	Hydrophilic surface: 85.733

Pharmacophoric Properties
Hydrogen bond donors: 2	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

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Ions/Tautomers related molecules: no related molecules available.