MMsINC Database Search


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MMsINC code: MMs02311061

Type: Neutral
Formula: C₉H₁₄N₂

SMILES:

N(NC)(C)c1ccccc1C

InChI:

InChI=1/C9H14N2/c1-8-6-4-5-7-9(8)11(3)10-2/h4-7,10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3989 kcal/mol

Physical Properties
Molecular Weight: 150.225 g/mol	logS: -0.93311	SlogP: 1.56562	Reactive groups: 0

Topological Properties
Globularity: 0.262474	Sterimol/B1: 2.26335	Sterimol/B2: 3.56907	Sterimol/B3: 3.86584
Sterimol/B4: 6.23605	Sterimol/L: 10.5452

Surface and Volume Properties
Accessible surface: 362.475	Positive charged surface: 268.816	Negative charged surface: 93.6587	Volume: 171.25
Hydrophobic surface: 344.471	Hydrophilic surface: 18.004

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: no related molecules available.