MMsINC Database Search


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MMsINC code: MMs00010294

Type: Neutral
Formula: C₁₁H₉N

SMILES:

n1c2c(ccc1C=C)cccc2

InChI:

InChI=1/C11H9N/c1-2-10-8-7-9-5-3-4-6-11(9)12-10/h2-8H,1H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0275 kcal/mol

Physical Properties
Molecular Weight: 155.2 g/mol	logS: -2.59613	SlogP: 2.8778	Reactive groups: 0

Topological Properties
Globularity: 3.33015e-07	Sterimol/B1: 2.09709	Sterimol/B2: 2.09779	Sterimol/B3: 2.92794
Sterimol/B4: 5.57002	Sterimol/L: 11.9187

Surface and Volume Properties
Accessible surface: 359.878	Positive charged surface: 183.353	Negative charged surface: 170.99	Volume: 164.625
Hydrophobic surface: 302.28	Hydrophilic surface: 57.598

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