MMsINC Database Search


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MMsINC code: MMs02105071

Type: Neutral
Formula: C₁₁H₁₄N₂

SMILES:

[nH]1c2ncccc2cc1C(C)(C)C

InChI:

InChI=1/C11H14N2/c1-11(2,3)9-7-8-5-4-6-12-10(8)13-9/h4-7H,1-3H3,(H,12,13)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0013 kcal/mol

Physical Properties
Molecular Weight: 174.247 g/mol	logS: -3.04496	SlogP: 2.8604	Reactive groups: 0

Topological Properties
Globularity: 0.100563	Sterimol/B1: 2.37558	Sterimol/B2: 3.02149	Sterimol/B3: 4.17138
Sterimol/B4: 4.87365	Sterimol/L: 11.6393

Surface and Volume Properties
Accessible surface: 385.43	Positive charged surface: 262.258	Negative charged surface: 117.61	Volume: 186.875
Hydrophobic surface: 301.478	Hydrophilic surface: 83.952

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.