MMsINC Database Search


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MMsINC code: MMs03313202

Type: Neutral
Formula: C₁₁H₁₀N-

SMILES:

Nc1cc(ccc1)-c1c[cH-]cc1

InChI:

InChI=1/C11H10N/c12-11-7-3-6-10(8-11)9-4-1-2-5-9/h1-8H,12H2/q-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.941 kcal/mol

Physical Properties
Molecular Weight: 156.208 g/mol	logS: -3.25789	SlogP: 2.6547	Reactive groups: 0

Topological Properties
Globularity: 1.31516e-06	Sterimol/B1: 2.097	Sterimol/B2: 2.10342	Sterimol/B3: 2.76263
Sterimol/B4: 5.38552	Sterimol/L: 11.578

Surface and Volume Properties
Accessible surface: 361.342	Positive charged surface: 194.644	Negative charged surface: 166.698	Volume: 169.25
Hydrophobic surface: 298.989	Hydrophilic surface: 62.353

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 0	Acid groups: 1	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.