MMsINC Database Search


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MMsINC code: MMs03704383

Type: Neutral
Formula: C₁₉H₁₅N

SMILES:

n1(c2c(cccc2)cc1)Cc1c2c(ccc1)cccc2

InChI:

InChI=1/C19H15N/c1-3-10-18-15(6-1)8-5-9-17(18)14-20-13-12-16-7-2-4-11-19(16)20/h1-13H,14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.7565 kcal/mol

Physical Properties
Molecular Weight: 257.336 g/mol	logS: -5.21457	SlogP: 5.1092	Reactive groups: 0

Topological Properties
Globularity: 0.117132	Sterimol/B1: 2.4421	Sterimol/B2: 3.71895	Sterimol/B3: 4.60698
Sterimol/B4: 6.39784	Sterimol/L: 13.66

Surface and Volume Properties
Accessible surface: 483.084	Positive charged surface: 250.211	Negative charged surface: 217.186	Volume: 269.875
Hydrophobic surface: 459.915	Hydrophilic surface: 23.169

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.