MMsINC Database Search


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MMsINC code: MMs00013011

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

Nc1c(cccc1C)C(C)C

InChI:

InChI=1/C10H15N/c1-7(2)9-6-4-5-8(3)10(9)11/h4-7H,11H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.2383 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -2.45714	SlogP: 2.70062	Reactive groups: 0

Topological Properties
Globularity: 0.144516	Sterimol/B1: 3.22117	Sterimol/B2: 3.61125	Sterimol/B3: 3.61202
Sterimol/B4: 5.44902	Sterimol/L: 10.5551

Surface and Volume Properties
Accessible surface: 361.928	Positive charged surface: 239.372	Negative charged surface: 122.556	Volume: 171
Hydrophobic surface: 279.658	Hydrophilic surface: 82.27

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.