MMsINC Database Search


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MMsINC code: MMs00044546

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

n1ccccc1Cn1cccc1

InChI:

InChI=1/C10H10N2/c1-2-6-11-10(5-1)9-12-7-3-4-8-12/h1-8H,9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.7554 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -0.38479	SlogP: 2.1978	Reactive groups: 0

Topological Properties
Globularity: 0.14089	Sterimol/B1: 2.9751	Sterimol/B2: 3.09377	Sterimol/B3: 4.09812
Sterimol/B4: 4.72293	Sterimol/L: 10.9599

Surface and Volume Properties
Accessible surface: 367.5	Positive charged surface: 231.88	Negative charged surface: 135.62	Volume: 167.875
Hydrophobic surface: 322.154	Hydrophilic surface: 45.346

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.