MMsINC Database Search


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MMsINC code: MMs00996584

Type: Neutral
Formula: C₂₀H₂₄N₂

SMILES:

n1c2cc(C)c(cc2n(c1)Cc1ccc(cc1)C(C)(C)C)C

InChI:

InChI=1/C20H24N2/c1-14-10-18-19(11-15(14)2)22(13-21-18)12-16-6-8-17(9-7-16)20(3,4)5/h6-11,13H,12H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.6427 kcal/mol

Physical Properties
Molecular Weight: 292.426 g/mol	logS: -6.43391	SlogP: 5.26534	Reactive groups: 0

Topological Properties
Globularity: 0.106211	Sterimol/B1: 2.67952	Sterimol/B2: 3.11927	Sterimol/B3: 5.04499
Sterimol/B4: 6.81825	Sterimol/L: 15.6893

Surface and Volume Properties
Accessible surface: 562.083	Positive charged surface: 365.607	Negative charged surface: 196.476	Volume: 319.125
Hydrophobic surface: 470.745	Hydrophilic surface: 91.338

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.