MMsINC Database Search


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MMsINC code: MMs02360303

Type: Neutral
Formula: C₁₁H₁₀N₂

SMILES:

n1ccccc1Cc1ncccc1

InChI:

InChI=1/C11H10N2/c1-3-7-12-10(5-1)9-11-6-2-4-8-13-11/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.5628 kcal/mol

Physical Properties
Molecular Weight: 170.215 g/mol	logS: -0.97737	SlogP: 2.06737	Reactive groups: 0

Topological Properties
Globularity: 0.154579	Sterimol/B1: 2.89368	Sterimol/B2: 3.28266	Sterimol/B3: 3.62298
Sterimol/B4: 4.12333	Sterimol/L: 11.5173

Surface and Volume Properties
Accessible surface: 384.052	Positive charged surface: 260.003	Negative charged surface: 124.049	Volume: 175.875
Hydrophobic surface: 369.188	Hydrophilic surface: 14.864

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.