MMsINC Database Search


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MMsINC code: MMs03893889

Type: Neutral
Formula: C₁₁H₁₁N

SMILES:

Nc1ccc(cc1)C1C=CC=C1

InChI:

InChI=1/C11H11N/c12-11-7-5-10(6-8-11)9-3-1-2-4-9/h1-9H,12H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.7613 kcal/mol

Physical Properties
Molecular Weight: 157.216 g/mol	logS: -2.48928	SlogP: 2.4784	Reactive groups: 0

Topological Properties
Globularity: 0.112626	Sterimol/B1: 2.52829	Sterimol/B2: 3.70421	Sterimol/B3: 3.73666
Sterimol/B4: 5.20769	Sterimol/L: 11.293

Surface and Volume Properties
Accessible surface: 362.343	Positive charged surface: 224.814	Negative charged surface: 137.529	Volume: 169
Hydrophobic surface: 272.267	Hydrophilic surface: 90.076

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.