MMsINC Database Search


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MMsINC code: MMs00833363

Type: Neutral
Formula: C₂₁H₁₆N₂O₃

SMILES:

O=C1N(C(=O)c2c3c1ccc(N(C(=O)C)C)c3ccc2)c1ccccc1

InChI:

InChI=1/C21H16N2O3/c1-13(24)22(2)18-12-11-17-19-15(18)9-6-10-16(19)20(25)23(21(17)26)14-7-4-3-5-8-14/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.352 kcal/mol

Physical Properties
Molecular Weight: 344.37 g/mol	logS: -5.73993	SlogP: 3.6231	Reactive groups: 0

Topological Properties
Globularity: 0.0641193	Sterimol/B1: 2.84141	Sterimol/B2: 4.17911	Sterimol/B3: 4.64343
Sterimol/B4: 5.72185	Sterimol/L: 17.2759

Surface and Volume Properties
Accessible surface: 574.342	Positive charged surface: 321.966	Negative charged surface: 243.131	Volume: 323.125
Hydrophobic surface: 483.528	Hydrophilic surface: 90.814

Pharmacophoric Properties
Hydrogen bond donors: 0	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.