MMsINC Database Search


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MMsINC code: MMs02750734

Type: Neutral
Formula: C₂₀H₂₀N₂

SMILES:

n12c(C=CC=C1)c(C)c(C)c2-c1n2c(C=CC=C2)c(C)c1C

InChI:

InChI=1/C20H20N2/c1-13-15(3)19(21-11-7-5-9-17(13)21)20-16(4)14(2)18-10-6-8-12-22(18)20/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.472 kcal/mol

Physical Properties
Molecular Weight: 288.394 g/mol	logS: -3.17262	SlogP: 5.18528	Reactive groups: 0

Topological Properties
Globularity: 0.325141	Sterimol/B1: 2.85937	Sterimol/B2: 3.15646	Sterimol/B3: 5.75348
Sterimol/B4: 5.89969	Sterimol/L: 12.9657

Surface and Volume Properties
Accessible surface: 538.095	Positive charged surface: 312.725	Negative charged surface: 225.369	Volume: 307.25
Hydrophobic surface: 538.095	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.