MMsINC Database Search


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MMsINC code: MMs02671451

Type: Neutral
Formula: C₆H₁₀N₂

SMILES:

[nH]1ccnc1CCC

InChI:

InChI=1/C6H10N2/c1-2-3-6-7-4-5-8-6/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)=3.85834 kcal/mol

Physical Properties
Molecular Weight: 110.16 g/mol	logS: -0.69838	SlogP: 1.36217	Reactive groups: 0

Topological Properties
Globularity: 0.0701996	Sterimol/B1: 2.77791	Sterimol/B2: 3.15985	Sterimol/B3: 3.23602
Sterimol/B4: 3.31994	Sterimol/L: 10.5054

Surface and Volume Properties
Accessible surface: 307.003	Positive charged surface: 237.827	Negative charged surface: 69.176	Volume: 121.5
Hydrophobic surface: 219.196	Hydrophilic surface: 87.807

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.