MMsINC Database Search


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MMsINC code: MMs02261411

Type: Neutral
Formula: C₁₈H₂₄N₂

SMILES:

Nc1c(C)c(-c2c(C)c(N)c(cc2C)C)c(cc1C)C

InChI:

InChI=1/C18H24N2/c1-9-7-11(3)17(19)13(5)15(9)16-10(2)8-12(4)18(20)14(16)6/h7-8H,19-20H2,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.8731 kcal/mol

Physical Properties
Molecular Weight: 268.404 g/mol	logS: -4.84274	SlogP: 4.36852	Reactive groups: 0

Topological Properties
Globularity: 0.237097	Sterimol/B1: 2.44283	Sterimol/B2: 2.44301	Sterimol/B3: 5.94598
Sterimol/B4: 6.08872	Sterimol/L: 13.9315

Surface and Volume Properties
Accessible surface: 506.037	Positive charged surface: 342.245	Negative charged surface: 163.792	Volume: 292.875
Hydrophobic surface: 421.625	Hydrophilic surface: 84.412

Pharmacophoric Properties
Hydrogen bond donors: 2	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.