MMsINC Database Search


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MMsINC code: MMs02218136

Type: Neutral
Formula: C₁₀H₉N

SMILES:

Nc1cc2c(cc1)cccc2

InChI:

InChI=1/C10H9N/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.0813 kcal/mol

Physical Properties
Molecular Weight: 143.189 g/mol	logS: -2.98364	SlogP: 2.422	Reactive groups: 0

Topological Properties
Globularity: 1.78914e-07	Sterimol/B1: 2.09707	Sterimol/B2: 2.09849	Sterimol/B3: 3.88233
Sterimol/B4: 4.40597	Sterimol/L: 10.8273

Surface and Volume Properties
Accessible surface: 334.774	Positive charged surface: 184.945	Negative charged surface: 138.758	Volume: 153.625
Hydrophobic surface: 275.125	Hydrophilic surface: 59.649

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.