MMsINC Database Search


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MMsINC code: MMs02231312

Type: Neutral
Formula: C₁₀H₁₁N

SMILES:

Nc1c2CC=CCc2ccc1

InChI:

InChI=1/C10H11N/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5,7H,4,6,11H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.9634 kcal/mol

Physical Properties
Molecular Weight: 145.205 g/mol	logS: -2.14393	SlogP: 1.92354	Reactive groups: 0

Topological Properties
Globularity: 0.0458165	Sterimol/B1: 2.21124	Sterimol/B2: 2.76123	Sterimol/B3: 2.80435
Sterimol/B4: 5.71002	Sterimol/L: 10.0784

Surface and Volume Properties
Accessible surface: 334.345	Positive charged surface: 225.911	Negative charged surface: 108.434	Volume: 155.5
Hydrophobic surface: 250.467	Hydrophilic surface: 83.878

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.