MMsINC Database Search


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MMsINC code: MMs02707196

Type: Neutral
Formula: C₁₄H₂₀N₂

SMILES:

n1c2c(n(CC)c1CC(C)(C)C)cccc2

InChI:

InChI=1/C14H20N2/c1-5-16-12-9-7-6-8-11(12)15-13(16)10-14(2,3)4/h6-9H,5,10H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9073 kcal/mol

Physical Properties
Molecular Weight: 216.328 g/mol	logS: -3.76552	SlogP: 3.91117	Reactive groups: 0

Topological Properties
Globularity: 0.128926	Sterimol/B1: 2.47393	Sterimol/B2: 2.67324	Sterimol/B3: 4.4798
Sterimol/B4: 7.5623	Sterimol/L: 12.7052

Surface and Volume Properties
Accessible surface: 444.142	Positive charged surface: 293.264	Negative charged surface: 150.878	Volume: 239.875
Hydrophobic surface: 359.066	Hydrophilic surface: 85.076

Pharmacophoric Properties
Hydrogen bond donors: 0	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.