MMsINC Database Search


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MMsINC code: MMs03356440

Type: Neutral
Formula: C₁₀H₁₅N

SMILES:

n1(ccc(CCC)c1C)C=C

InChI:

InChI=1/C10H15N/c1-4-6-10-7-8-11(5-2)9(10)3/h5,7-8H,2,4,6H2,1,3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.2869 kcal/mol

Physical Properties
Molecular Weight: 149.237 g/mol	logS: -1.48939	SlogP: 2.84949	Reactive groups: 0

Topological Properties
Globularity: 0.0619956	Sterimol/B1: 2.43248	Sterimol/B2: 3.16403	Sterimol/B3: 3.89407
Sterimol/B4: 4.2605	Sterimol/L: 12.5689

Surface and Volume Properties
Accessible surface: 375.979	Positive charged surface: 231.385	Negative charged surface: 144.594	Volume: 177
Hydrophobic surface: 289.937	Hydrophilic surface: 86.042

Pharmacophoric Properties
Hydrogen bond donors: 0	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.