MMsINC Database Search


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MMsINC code: MMs02178265

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c(nc(c1-c1cc3c(cc1)cccc3)-c1ccccc1)cccc2

InChI:

InChI=1/C24H16N2/c1-2-9-18(10-3-1)23-24(26-22-13-7-6-12-21(22)25-23)20-15-14-17-8-4-5-11-19(17)16-20/h1-16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.197 kcal/mol

Physical Properties
Molecular Weight: 332.406 g/mol	logS: -7.35232	SlogP: 6.117	Reactive groups: 0

Topological Properties
Globularity: 0.0552045	Sterimol/B1: 2.47211	Sterimol/B2: 2.69717	Sterimol/B3: 3.9347
Sterimol/B4: 9.31795	Sterimol/L: 16.252

Surface and Volume Properties
Accessible surface: 583.901	Positive charged surface: 315.886	Negative charged surface: 254.131	Volume: 333.875
Hydrophobic surface: 545.142	Hydrophilic surface: 38.759

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: 0

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Ions/Tautomers related molecules: no related molecules available.