MMsINC Database Search


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MMsINC code: MMs03083495

Type: Neutral
Formula: C₂₃H₁₆N₂

SMILES:

n1c2c(cccc2)c(Nc2c3c(ccc2)cccc3)c2c1cccc2

InChI:

InChI=1/C23H16N2/c1-2-10-17-16(8-1)9-7-15-20(17)25-23-18-11-3-5-13-21(18)24-22-14-6-4-12-19(22)23/h1-15H,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.298 kcal/mol

Physical Properties
Molecular Weight: 320.395 g/mol	logS: -7.3183	SlogP: 6.2848	Reactive groups: 0

Topological Properties
Globularity: 0.162459	Sterimol/B1: 3.51893	Sterimol/B2: 5.70346	Sterimol/B3: 5.9772
Sterimol/B4: 6.0759	Sterimol/L: 14.3307

Surface and Volume Properties
Accessible surface: 554.566	Positive charged surface: 292.618	Negative charged surface: 245.918	Volume: 321.625
Hydrophobic surface: 524.361	Hydrophilic surface: 30.205

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.