MMsINC Database Search


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MMsINC code: MMs00010432

Type: Neutral
Formula: C₁₀H₉N

SMILES:

n1c2c(cccc2)c(cc1)C

InChI:

InChI=1/C10H9N/c1-8-6-7-11-10-5-3-2-4-9(8)10/h2-7H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.1652 kcal/mol

Physical Properties
Molecular Weight: 143.189 g/mol	logS: -2.44734	SlogP: 2.54322	Reactive groups: 0

Topological Properties
Globularity: 0.0175833	Sterimol/B1: 2.10461	Sterimol/B2: 2.2318	Sterimol/B3: 2.5123
Sterimol/B4: 6.1208	Sterimol/L: 9.99708

Surface and Volume Properties
Accessible surface: 329.841	Positive charged surface: 199.695	Negative charged surface: 124.835	Volume: 151.25
Hydrophobic surface: 308.383	Hydrophilic surface: 21.458

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.