MMsINC Database Search


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MMsINC code: MMs00226949

Type: Neutral
Formula: C₂₀H₁₈N₂

SMILES:

n1(c2c(c3c1cccc3)cccc2)CN(C)c1ccccc1

InChI:

InChI=1/C20H18N2/c1-21(16-9-3-2-4-10-16)15-22-19-13-7-5-11-17(19)18-12-6-8-14-20(18)22/h2-14H,15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=110.4 kcal/mol

Physical Properties
Molecular Weight: 286.378 g/mol	logS: -4.84272	SlogP: 5.1548	Reactive groups: 0

Topological Properties
Globularity: 0.190044	Sterimol/B1: 2.12134	Sterimol/B2: 4.04741	Sterimol/B3: 6.45
Sterimol/B4: 7.07304	Sterimol/L: 14.5082

Surface and Volume Properties
Accessible surface: 517.848	Positive charged surface: 303.822	Negative charged surface: 202.041	Volume: 298.5
Hydrophobic surface: 511.429	Hydrophilic surface: 6.419

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.