MMsINC Database Search


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MMsINC code: MMs02324851

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

n1(cc(c2c1cccc2)C)C

InChI:

InChI=1/C10H11N/c1-8-7-11(2)10-6-4-3-5-9(8)10/h3-7H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=24.8455 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -1.72926	SlogP: 2.84592	Reactive groups: 0

Topological Properties
Globularity: 0.0353987	Sterimol/B1: 2.5119	Sterimol/B2: 2.51685	Sterimol/B3: 2.65283
Sterimol/B4: 6.54539	Sterimol/L: 10.1635

Surface and Volume Properties
Accessible surface: 352.293	Positive charged surface: 221.991	Negative charged surface: 124.496	Volume: 162.5
Hydrophobic surface: 334.953	Hydrophilic surface: 17.34

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.