MMsINC Database Search


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MMsINC code: MMs02877758

Type: Neutral
Formula: C₁₉H₁₈N₂

SMILES:

n1cc(NC(Cc2ccccc2)c2ccccc2)ccc1

InChI:

InChI=1/C19H18N2/c1-3-8-16(9-4-1)14-19(17-10-5-2-6-11-17)21-18-12-7-13-20-15-18/h1-13,15,19,21H,14H2/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6204 kcal/mol

Physical Properties
Molecular Weight: 274.367 g/mol	logS: -3.52047	SlogP: 4.57297	Reactive groups: 0

Topological Properties
Globularity: 0.217703	Sterimol/B1: 3.37194	Sterimol/B2: 3.48194	Sterimol/B3: 3.95056
Sterimol/B4: 7.44794	Sterimol/L: 14.1506

Surface and Volume Properties
Accessible surface: 532.517	Positive charged surface: 321.159	Negative charged surface: 211.358	Volume: 292.25
Hydrophobic surface: 513.059	Hydrophilic surface: 19.458

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.