MMsINC Database Search


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MMsINC code: MMs00015298

Type: Neutral
Formula: C₁₀H₁₃N

SMILES:

Nc1c2CCCCc2ccc1

InChI:

InChI=1/C10H13N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.638 kcal/mol

Physical Properties
Molecular Weight: 147.221 g/mol	logS: -2.66855	SlogP: 2.14754	Reactive groups: 0

Topological Properties
Globularity: 0.0759797	Sterimol/B1: 2.84164	Sterimol/B2: 2.91711	Sterimol/B3: 2.97887
Sterimol/B4: 5.67206	Sterimol/L: 10.1127

Surface and Volume Properties
Accessible surface: 340.235	Positive charged surface: 239.287	Negative charged surface: 100.948	Volume: 161.625
Hydrophobic surface: 291.34	Hydrophilic surface: 48.895

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.