MMsINC Database Search


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MMsINC code: MMs03038846

Type: Neutral
Formula: C₁₀H₁₆N₂

SMILES:

N(N)c1ccccc1C(C)(C)C

InChI:

InChI=1/C10H16N2/c1-10(2,3)8-6-4-5-7-9(8)12-11/h4-7,12H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.9175 kcal/mol

Physical Properties
Molecular Weight: 164.252 g/mol	logS: -2.79182	SlogP: 2.2697	Reactive groups: 0

Topological Properties
Globularity: 0.189055	Sterimol/B1: 3.46447	Sterimol/B2: 3.76415	Sterimol/B3: 3.92019
Sterimol/B4: 5.86696	Sterimol/L: 9.9346

Surface and Volume Properties
Accessible surface: 368.246	Positive charged surface: 240.523	Negative charged surface: 127.723	Volume: 180.875
Hydrophobic surface: 252.006	Hydrophilic surface: 116.24

Pharmacophoric Properties
Hydrogen bond donors: 2	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.