MMsINC Database Search


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MMsINC code: MMs00290476

Type: Neutral
Formula: C₂₄H₁₆N₂

SMILES:

n1c2c(nc(c1-c1c3c(ccc1)cccc3)-c1ccccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.948 kcal/mol

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

Topological Properties
Globularity: 0.113998	Sterimol/B1: 2.56736	Sterimol/B2: 2.8035	Sterimol/B3: 4.82878
Sterimol/B4: 10.1521	Sterimol/L: 14.0827

Surface and Volume Properties
Accessible surface: 572.654	Positive charged surface: 311.302	Negative charged surface: 250.179	Volume: 334.375
Hydrophobic surface: 539.884	Hydrophilic surface: 32.77

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.