MMsINC Database Search


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MMsINC code: MMs02181016

Type: Neutral
Formula: C₂₀H₁₆N₂

SMILES:

n1c2c(cccc2)c(cc1C)-c1cc(nc2c1cccc2)C

InChI:

InChI=1/C20H16N2/c1-13-11-17(15-7-3-5-9-19(15)21-13)18-12-14(2)22-20-10-6-4-8-16(18)20/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.1147 kcal/mol

Physical Properties
Molecular Weight: 284.362 g/mol	logS: -5.61512	SlogP: 5.06684	Reactive groups: 0

Topological Properties
Globularity: 0.245508	Sterimol/B1: 2.40745	Sterimol/B2: 2.53073	Sterimol/B3: 5.69236
Sterimol/B4: 7.40614	Sterimol/L: 12.522

Surface and Volume Properties
Accessible surface: 530.713	Positive charged surface: 314.583	Negative charged surface: 209.197	Volume: 290.5
Hydrophobic surface: 497.6	Hydrophilic surface: 33.113

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.