MMsINC Database Search


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MMsINC code: MMs01463989

Type: Neutral
Formula: C₂₀H₁₈N₂O₄

SMILES:

O=C1N(CC(=O)NC(Cc2ccccc2)C(=O)C)C(=O)c2c1cccc2

InChI:

InChI=1/C20H18N2O4/c1-13(23)17(11-14-7-3-2-4-8-14)21-18(24)12-22-19(25)15-9-5-6-10-16(15)20(22)26/h2-10,17H,11-12H2,1H3,(H,21,24)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.2503 kcal/mol

Physical Properties
Molecular Weight: 350.374 g/mol	logS: -4.27538	SlogP: 1.59907	Reactive groups: 0

Topological Properties
Globularity: 0.0979759	Sterimol/B1: 2.53685	Sterimol/B2: 2.70557	Sterimol/B3: 5.07087
Sterimol/B4: 9.56497	Sterimol/L: 15.4143

Surface and Volume Properties
Accessible surface: 611.841	Positive charged surface: 327.556	Negative charged surface: 284.285	Volume: 329.5
Hydrophobic surface: 472.972	Hydrophilic surface: 138.869

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.