MMsINC Database Search


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MMsINC code: MMs02238340

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

[nH]1c2c(cc1C)cccc2C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.4506 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -2.14864	SlogP: 2.78474	Reactive groups: 0

Topological Properties
Globularity: 0.0256258	Sterimol/B1: 2.04566	Sterimol/B2: 2.10449	Sterimol/B3: 2.51223
Sterimol/B4: 6.72193	Sterimol/L: 10.6072

Surface and Volume Properties
Accessible surface: 352.207	Positive charged surface: 206.236	Negative charged surface: 140.159	Volume: 159.75
Hydrophobic surface: 329.676	Hydrophilic surface: 22.531

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.