MMsINC Database Search


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MMsINC code: MMs02226305

Type: Neutral
Formula: C₁₁H₁₁N

SMILES:

Nc1ccc2c(cccc2)c1C

InChI:

InChI=1/C11H11N/c1-8-10-5-3-2-4-9(10)6-7-11(8)12/h2-7H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9707 kcal/mol

Physical Properties
Molecular Weight: 157.216 g/mol	logS: -3.14411	SlogP: 2.73042	Reactive groups: 0

Topological Properties
Globularity: 0.0130064	Sterimol/B1: 2.10281	Sterimol/B2: 2.15971	Sterimol/B3: 2.51208
Sterimol/B4: 6.48993	Sterimol/L: 10.8519

Surface and Volume Properties
Accessible surface: 349.294	Positive charged surface: 201.667	Negative charged surface: 137.006	Volume: 167.25
Hydrophobic surface: 298.066	Hydrophilic surface: 51.228

Pharmacophoric Properties
Hydrogen bond donors: 1	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.