MMsINC Database Search


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MMsINC code: MMs03236584

Type: Neutral
Formula: C₁₆H₂₀N₂

SMILES:

N(Nc1ccccc1)(CCCC)c1ccccc1

InChI:

InChI=1/C16H20N2/c1-2-3-14-18(16-12-8-5-9-13-16)17-15-10-6-4-7-11-15/h4-13,17H,2-3,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.7575 kcal/mol

Physical Properties
Molecular Weight: 240.35 g/mol	logS: -3.6407	SlogP: 4.3202	Reactive groups: 0

Topological Properties
Globularity: 0.117851	Sterimol/B1: 2.73058	Sterimol/B2: 3.03958	Sterimol/B3: 4.1245
Sterimol/B4: 8.06359	Sterimol/L: 14.2792

Surface and Volume Properties
Accessible surface: 501.225	Positive charged surface: 322.537	Negative charged surface: 178.688	Volume: 265.375
Hydrophobic surface: 459.529	Hydrophilic surface: 41.696

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.