MMsINC Database Search


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MMsINC code: MMs00723340

Type: Neutral
Formula: C₂₄H₂₀N₂

SMILES:

n1c(-c2ccccc2)c(ccc1-c1cc(-c2ccccc2)c(nc1)C)C

InChI:

InChI=1/C24H20N2/c1-17-13-14-23(26-24(17)20-11-7-4-8-12-20)21-15-22(18(2)25-16-21)19-9-5-3-6-10-19/h3-16H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.121 kcal/mol

Physical Properties
Molecular Weight: 336.438 g/mol	logS: -6.5592	SlogP: 6.09444	Reactive groups: 0

Topological Properties
Globularity: 0.0383142	Sterimol/B1: 2.95197	Sterimol/B2: 3.31812	Sterimol/B3: 3.79293
Sterimol/B4: 7.31488	Sterimol/L: 15.1731

Surface and Volume Properties
Accessible surface: 610.714	Positive charged surface: 346.888	Negative charged surface: 252.516	Volume: 350
Hydrophobic surface: 584.906	Hydrophilic surface: 25.808

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.