MMsINC Database Search


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MMsINC code: MMs02862956

Type: Neutral
Formula: C₁₄H₉N

SMILES:

[nH]1c2c3c4c(ccc3ccc2)cccc14

InChI:

InChI=1/C14H9N/c1-3-9-7-8-10-4-2-6-12-14(10)13(9)11(5-1)15-12/h1-8,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=124.788 kcal/mol

Physical Properties
Molecular Weight: 191.233 g/mol	logS: -4.85084	SlogP: 3.9121	Reactive groups: 0

Topological Properties
Globularity: 0.00366445	Sterimol/B1: 2.13056	Sterimol/B2: 2.17735	Sterimol/B3: 3.80782
Sterimol/B4: 5.137	Sterimol/L: 11.7893

Surface and Volume Properties
Accessible surface: 377.825	Positive charged surface: 194.816	Negative charged surface: 160.803	Volume: 189.625
Hydrophobic surface: 355.731	Hydrophilic surface: 22.094

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	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.