MMsINC Database Search


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MMsINC code: MMs00818709

Type: Neutral
Formula: C₂₁H₁₈N₂

SMILES:

n1c2c(cccc2C)c(N(C)c2ccccc2)c2c1cccc2

InChI:

InChI=1/C21H18N2/c1-15-9-8-13-18-20(15)22-19-14-7-6-12-17(19)21(18)23(2)16-10-4-3-5-11-16/h3-14H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.669 kcal/mol

Physical Properties
Molecular Weight: 298.389 g/mol	logS: -5.73184	SlogP: 5.46432	Reactive groups: 0

Topological Properties
Globularity: 0.214351	Sterimol/B1: 4.18516	Sterimol/B2: 4.52092	Sterimol/B3: 5.07341
Sterimol/B4: 7.73925	Sterimol/L: 13.8503

Surface and Volume Properties
Accessible surface: 539.693	Positive charged surface: 321.798	Negative charged surface: 213.126	Volume: 309.25
Hydrophobic surface: 522.658	Hydrophilic surface: 17.035

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: 1

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Ions/Tautomers related molecules: no related molecules available.