MMsINC Database Search


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MMsINC code: MMs02746525

Type: Neutral
Formula: C₁₉H₁₆N₂O₂

SMILES:

O(c1ccccc1C(=O)Nc1nccc(c1)C)c1ccccc1

InChI:

InChI=1/C19H16N2O2/c1-14-11-12-20-18(13-14)21-19(22)16-9-5-6-10-17(16)23-15-7-3-2-4-8-15/h2-13H,1H3,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.631 kcal/mol

Physical Properties
Molecular Weight: 304.349 g/mol	logS: -4.66462	SlogP: 4.43462	Reactive groups: 0

Topological Properties
Globularity: 0.0339778	Sterimol/B1: 3.5134	Sterimol/B2: 3.70915	Sterimol/B3: 4.77524
Sterimol/B4: 6.16853	Sterimol/L: 17.378

Surface and Volume Properties
Accessible surface: 560.447	Positive charged surface: 341.672	Negative charged surface: 218.774	Volume: 298.125
Hydrophobic surface: 509.401	Hydrophilic surface: 51.046

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.