MMsINC Database Search


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MMsINC code: MMs00010568

Type: Neutral
Formula: C₁₀H₉N

SMILES:

Nc1c2c(ccc1)cccc2

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.2011 kcal/mol

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

Topological Properties
Globularity: 1.53626e-07	Sterimol/B1: 2.097	Sterimol/B2: 2.09857	Sterimol/B3: 4.25777
Sterimol/B4: 4.2816	Sterimol/L: 10.078

Surface and Volume Properties
Accessible surface: 330.943	Positive charged surface: 180.032	Negative charged surface: 139.84	Volume: 152.875
Hydrophobic surface: 277.876	Hydrophilic surface: 53.067

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.