MMsINC Database Search


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MMsINC code: MMs02384482

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

Nc1c2CCC=Cc2ccc1

InChI:

InChI=1/C10H11N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1,3-5,7H,2,6,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.7617 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -1.96438	SlogP: 2.22817	Reactive groups: 0

Topological Properties
Globularity: 0.0527399	Sterimol/B1: 2.87036	Sterimol/B2: 2.95825	Sterimol/B3: 2.9913
Sterimol/B4: 5.5953	Sterimol/L: 10.0186

Surface and Volume Properties
Accessible surface: 334.963	Positive charged surface: 217.593	Negative charged surface: 117.37	Volume: 156.125
Hydrophobic surface: 265.594	Hydrophilic surface: 69.369

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.