MMsINC Database Search


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MMsINC code: MMs02883283

Type: Neutral
Formula: C₂₄H₂₂N₂

SMILES:

n1c2cc(ccc2nc(c1-c1ccccc1)-c1ccccc1)C(C)(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=148.466 kcal/mol

Physical Properties
Molecular Weight: 338.454 g/mol	logS: -7.49402	SlogP: 6.2613	Reactive groups: 0

Topological Properties
Globularity: 0.0503609	Sterimol/B1: 3.41176	Sterimol/B2: 3.79678	Sterimol/B3: 4.42651
Sterimol/B4: 6.87855	Sterimol/L: 16.2441

Surface and Volume Properties
Accessible surface: 606.356	Positive charged surface: 367.807	Negative charged surface: 234.38	Volume: 354
Hydrophobic surface: 518.435	Hydrophilic surface: 87.921

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.