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MMsINC code: MMs02855119

Type: Neutral
Formula: C₁₂H₁₆N₂

SMILES:

[nH]1c2c(cccc2C)c(c1)CN(C)C

InChI:

InChI=1/C12H16N2/c1-9-5-4-6-11-10(8-14(2)3)7-13-12(9)11/h4-7,13H,8H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.1573 kcal/mol

Physical Properties
Molecular Weight: 188.274 g/mol	logS: -1.7067	SlogP: 2.80432	Reactive groups: 0

Topological Properties
Globularity: 0.0758312	Sterimol/B1: 3.25464	Sterimol/B2: 3.2618	Sterimol/B3: 3.29816
Sterimol/B4: 5.66437	Sterimol/L: 12.3695

Surface and Volume Properties
Accessible surface: 414.497	Positive charged surface: 304.239	Negative charged surface: 105.944	Volume: 206.5
Hydrophobic surface: 371.759	Hydrophilic surface: 42.738

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

MMs02855120
PUBCHEM-ZINC02019493