MMsINC Database Search


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MMsINC code: MMs02279307

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c3c(ccc2nc(c1-c1ccccc1)-c1ccccc1)cccc3

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=143.012 kcal/mol

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

Topological Properties
Globularity: 0.0383385	Sterimol/B1: 2.82332	Sterimol/B2: 3.0548	Sterimol/B3: 3.4847
Sterimol/B4: 8.08124	Sterimol/L: 15.8175

Surface and Volume Properties
Accessible surface: 577.376	Positive charged surface: 315.026	Negative charged surface: 246.432	Volume: 332.375
Hydrophobic surface: 542.615	Hydrophilic surface: 34.761

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.