MMsINC Database Search


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MMsINC code: MMs03912257

Type: Neutral
Formula: C₇H₁₀N₂

SMILES:

N(C)c1cc(N)ccc1

InChI:

InChI=1/C7H10N2/c1-9-7-4-2-3-6(8)5-7/h2-5,9H,8H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.0572 kcal/mol

Physical Properties
Molecular Weight: 122.171 g/mol	logS: -0.90222	SlogP: 1.3105	Reactive groups: 0

Topological Properties
Globularity: 0.0154758	Sterimol/B1: 2.37427	Sterimol/B2: 2.37573	Sterimol/B3: 3.33247
Sterimol/B4: 4.57159	Sterimol/L: 10.556

Surface and Volume Properties
Accessible surface: 319.359	Positive charged surface: 235.275	Negative charged surface: 84.0839	Volume: 132.5
Hydrophobic surface: 233.492	Hydrophilic surface: 85.867

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 0	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.