MMsINC Database Search


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MMsINC code: MMs02911158

Type: Neutral
Formula: C₁₄H₂₀N₂

SMILES:

n1c2c(n(CCCCCC)c1C)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.4309 kcal/mol

Physical Properties
Molecular Weight: 216.328 g/mol	logS: -3.76552	SlogP: 4.19142	Reactive groups: 0

Topological Properties
Globularity: 0.0613128	Sterimol/B1: 2.23384	Sterimol/B2: 4.06	Sterimol/B3: 4.18053
Sterimol/B4: 6.00523	Sterimol/L: 15.1564

Surface and Volume Properties
Accessible surface: 484.435	Positive charged surface: 334.759	Negative charged surface: 149.676	Volume: 242.5
Hydrophobic surface: 435.662	Hydrophilic surface: 48.773

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.