MMsINC Database Search


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MMsINC code: MMs02249679

Type: Neutral
Formula: C₁₁H₁₁N

SMILES:

Nc1cc2c(cc(cc2)C)cc1

InChI:

InChI=1/C11H11N/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-7H,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=42.8595 kcal/mol

Physical Properties
Molecular Weight: 157.216 g/mol	logS: -3.45756	SlogP: 2.73042	Reactive groups: 0

Topological Properties
Globularity: 0.00908024	Sterimol/B1: 2.10316	Sterimol/B2: 2.51218	Sterimol/B3: 3.82661
Sterimol/B4: 4.58819	Sterimol/L: 11.8364

Surface and Volume Properties
Accessible surface: 362.89	Positive charged surface: 212.686	Negative charged surface: 139.583	Volume: 168.875
Hydrophobic surface: 300.655	Hydrophilic surface: 62.235

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.