MMsINC Database Search


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MMsINC code: MMs02883263

Type: Neutral
Formula: C₂₄H₂₂N₂

SMILES:

n1c2c(nc(c1-c1ccccc1)-c1ccccc1)cccc2C(C)(C)C

InChI:

InChI=1/C24H22N2/c1-24(2,3)19-15-10-16-20-23(19)26-22(18-13-8-5-9-14-18)21(25-20)17-11-6-4-7-12-17/h4-16H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.121 kcal/mol

Physical Properties
Molecular Weight: 338.454 g/mol	logS: -7.18057	SlogP: 6.2613	Reactive groups: 0

Topological Properties
Globularity: 0.0733351	Sterimol/B1: 3.59337	Sterimol/B2: 3.6307	Sterimol/B3: 5.36117
Sterimol/B4: 6.25326	Sterimol/L: 14.9709

Surface and Volume Properties
Accessible surface: 588.133	Positive charged surface: 349.092	Negative charged surface: 235.969	Volume: 351.625
Hydrophobic surface: 509.623	Hydrophilic surface: 78.51

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.