MMsINC Database Search


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MMsINC code: MMs00597294

Type: Neutral
Formula: C₁₉H₁₈N₂

SMILES:

n1ccc(cc1)C(Nc1ccc(cc1)C)c1ccccc1

InChI:

InChI=1/C19H18N2/c1-15-7-9-18(10-8-15)21-19(16-5-3-2-4-6-16)17-11-13-20-14-12-17/h2-14,19,21H,1H3/t19-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.6311 kcal/mol

Physical Properties
Molecular Weight: 274.367 g/mol	logS: -3.93292	SlogP: 4.68702	Reactive groups: 0

Topological Properties
Globularity: 0.174696	Sterimol/B1: 3.47356	Sterimol/B2: 3.49694	Sterimol/B3: 4.82752
Sterimol/B4: 6.57234	Sterimol/L: 14.7705

Surface and Volume Properties
Accessible surface: 537.205	Positive charged surface: 336.603	Negative charged surface: 200.602	Volume: 291.25
Hydrophobic surface: 513.798	Hydrophilic surface: 23.407

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.