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MMsINC code: MMs02713392

Type: Neutral
Formula: C₂₁H₁₆N₂O₃

SMILES:

O=C1NC(=O)c2c3c1ccc(NC(=O)CCc1ccccc1)c3ccc2

InChI:

InChI=1/C21H16N2O3/c24-18(12-9-13-5-2-1-3-6-13)22-17-11-10-16-19-14(17)7-4-8-15(19)20(25)23-21(16)26/h1-8,10-11H,9,12H2,(H,22,24)(H,23,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.9966 kcal/mol

Physical Properties
Molecular Weight: 344.37 g/mol	logS: -5.83198	SlogP: 3.29467	Reactive groups: 0

Topological Properties
Globularity: 0.0267791	Sterimol/B1: 3.28237	Sterimol/B2: 3.73268	Sterimol/B3: 4.8455
Sterimol/B4: 5.34685	Sterimol/L: 18.8072

Surface and Volume Properties
Accessible surface: 589.407	Positive charged surface: 320.614	Negative charged surface: 257.437	Volume: 318.375
Hydrophobic surface: 434.959	Hydrophilic surface: 154.448

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.