MMsINC Database Search


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MMsINC code: MMs02816140

Type: Neutral
Formula: C₂₀H₁₄N₂

SMILES:

n1c(c2c(cc1-c1ncccc1)cccc2)-c1ccccc1

InChI:

InChI=1/C20H14N2/c1-2-8-15(9-3-1)20-17-11-5-4-10-16(17)14-19(22-20)18-12-6-7-13-21-18/h1-14H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.673 kcal/mol

Physical Properties
Molecular Weight: 282.346 g/mol	logS: -5.50564	SlogP: 4.9638	Reactive groups: 0

Topological Properties
Globularity: 0.0295012	Sterimol/B1: 2.57238	Sterimol/B2: 2.90896	Sterimol/B3: 2.95515
Sterimol/B4: 9.51115	Sterimol/L: 14.2979

Surface and Volume Properties
Accessible surface: 531.45	Positive charged surface: 295.57	Negative charged surface: 222.627	Volume: 287.125
Hydrophobic surface: 501.41	Hydrophilic surface: 30.04

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.