MMsINC Database Search


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MMsINC code: MMs02316751

Type: Neutral
Formula: C₂₀H₁₅N

SMILES:

N(c1c2c(ccc1)cccc2)c1c2c(ccc1)cccc2

InChI:

InChI=1/C20H15N/c1-3-11-17-15(7-1)9-5-13-19(17)21-20-14-6-10-16-8-2-4-12-18(16)20/h1-14,21H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.218 kcal/mol

Physical Properties
Molecular Weight: 269.347 g/mol	logS: -6.76096	SlogP: 5.7366	Reactive groups: 0

Topological Properties
Globularity: 0.0503561	Sterimol/B1: 2.84053	Sterimol/B2: 3.32935	Sterimol/B3: 3.44751
Sterimol/B4: 6.14652	Sterimol/L: 14.6383

Surface and Volume Properties
Accessible surface: 505.479	Positive charged surface: 254.221	Negative charged surface: 228.981	Volume: 276.625
Hydrophobic surface: 500.162	Hydrophilic surface: 5.317

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.