MMsINC Database Search


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MMsINC code: MMs02854027

Type: Neutral
Formula: C₁₀H₁₆N₂

SMILES:

N(N)C(Cc1ccccc1C)C

InChI:

InChI=1/C10H16N2/c1-8-5-3-4-6-10(8)7-9(2)12-11/h3-6,9,12H,7,11H2,1-2H3/t9-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.5459 kcal/mol

Physical Properties
Molecular Weight: 164.252 g/mol	logS: -1.89233	SlogP: 1.38929	Reactive groups: 0

Topological Properties
Globularity: 0.116579	Sterimol/B1: 2.10087	Sterimol/B2: 2.97595	Sterimol/B3: 3.21915
Sterimol/B4: 6.65159	Sterimol/L: 10.7953

Surface and Volume Properties
Accessible surface: 376.826	Positive charged surface: 241.18	Negative charged surface: 135.646	Volume: 184.375
Hydrophobic surface: 281.507	Hydrophilic surface: 95.319

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.