MMsINC Database Search


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MMsINC code: MMs00010546

Type: Neutral
Formula: C₁₃H₁₃N

SMILES:

N(C)(c1ccccc1)c1ccccc1

InChI:

InChI=1/C13H13N/c1-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.5217 kcal/mol

Physical Properties
Molecular Weight: 183.254 g/mol	logS: -3.13615	SlogP: 3.4545	Reactive groups: 0

Topological Properties
Globularity: 0.139949	Sterimol/B1: 1.969	Sterimol/B2: 3.52005	Sterimol/B3: 3.78538
Sterimol/B4: 6.98595	Sterimol/L: 12.232

Surface and Volume Properties
Accessible surface: 407.37	Positive charged surface: 253.87	Negative charged surface: 153.5	Volume: 201.375
Hydrophobic surface: 407.37	Hydrophilic surface: 0

Pharmacophoric Properties
Hydrogen bond donors: 0	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.