MMsINC Database Search


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MMsINC code: MMs02297387

Type: Neutral
Formula: C₁₀H₁₀N₂

SMILES:

n1c2c(cc(C)c1C)cncc2

InChI:

InChI=1/C10H10N2/c1-7-5-9-6-11-4-3-10(9)12-8(7)2/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.9009 kcal/mol

Physical Properties
Molecular Weight: 158.204 g/mol	logS: -1.18914	SlogP: 2.24664	Reactive groups: 0

Topological Properties
Globularity: 0.0235616	Sterimol/B1: 2.10365	Sterimol/B2: 2.51206	Sterimol/B3: 2.83438
Sterimol/B4: 5.28969	Sterimol/L: 10.8265

Surface and Volume Properties
Accessible surface: 356.032	Positive charged surface: 240.6	Negative charged surface: 109.84	Volume: 164.125
Hydrophobic surface: 319.956	Hydrophilic surface: 36.076

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.