MMsINC Database Search


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MMsINC code: MMs02248184

Type: Neutral
Formula: C₁₉H₁₁N

SMILES:

n1c2c(c3c4c5c(cc3)cccc5ccc4c2)ccc1

InChI:

InChI=1/C19H11N/c1-3-12-6-7-14-11-17-15(5-2-10-20-17)16-9-8-13(4-1)18(12)19(14)16/h1-11H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1514 kcal/mol

Physical Properties
Molecular Weight: 253.304 g/mol	logS: -7.05856	SlogP: 5.1322	Reactive groups: 0

Topological Properties
Globularity: 1.52785e-07	Sterimol/B1: 2.09795	Sterimol/B2: 2.0984	Sterimol/B3: 4.17897
Sterimol/B4: 6.0165	Sterimol/L: 14.068

Surface and Volume Properties
Accessible surface: 451.014	Positive charged surface: 225.221	Negative charged surface: 187.044	Volume: 252.625
Hydrophobic surface: 430.408	Hydrophilic surface: 20.606

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.