MMsINC Database Search


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MMsINC code: MMs02879649

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

[nH]1c2c(cc1CC)cccc2

InChI:

InChI=1/C10H11N/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-7,11H,2H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=20.5281 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -2.18994	SlogP: 2.73027	Reactive groups: 0

Topological Properties
Globularity: 0.0534936	Sterimol/B1: 2.12808	Sterimol/B2: 3.48689	Sterimol/B3: 3.92129
Sterimol/B4: 3.99363	Sterimol/L: 11.6686

Surface and Volume Properties
Accessible surface: 354.447	Positive charged surface: 222.466	Negative charged surface: 125.923	Volume: 159.5
Hydrophobic surface: 306.631	Hydrophilic surface: 47.816

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.