MMsINC Database Search


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MMsINC code: MMs03188755

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

n1c(-c2ccccc2)c(ccc1-c1ccccc1)CN(C)C

InChI:

InChI=1/C20H20N2/c1-22(2)15-18-13-14-19(16-9-5-3-6-10-16)21-20(18)17-11-7-4-8-12-17/h3-14H,15H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.893 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -4.78855	SlogP: 4.7436	Reactive groups: 0

Topological Properties
Globularity: 0.0507487	Sterimol/B1: 2.47734	Sterimol/B2: 3.09711	Sterimol/B3: 3.96436
Sterimol/B4: 8.77889	Sterimol/L: 14.9343

Surface and Volume Properties
Accessible surface: 560.245	Positive charged surface: 357.238	Negative charged surface: 195.794	Volume: 307.625
Hydrophobic surface: 543.324	Hydrophilic surface: 16.921

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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

MMs03188756
PUBCHEM-ZINC05003916