MMsINC Database Search


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MMsINC code: MMs01764855

Type: Neutral
Formula: C₁₉H₁₈N₂O₃

SMILES:

O(C)c1ccccc1N(CC1=CC(=O)Nc2c1cccc2)C(=O)C

InChI:

InChI=1/C19H18N2O3/c1-13(22)21(17-9-5-6-10-18(17)24-2)12-14-11-19(23)20-16-8-4-3-7-15(14)16/h3-11H,12H2,1-2H3,(H,20,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.2372 kcal/mol

Physical Properties
Molecular Weight: 322.364 g/mol	logS: -4.17296	SlogP: 3.0838	Reactive groups: 0

Topological Properties
Globularity: 0.287375	Sterimol/B1: 3.19705	Sterimol/B2: 3.50944	Sterimol/B3: 4.917
Sterimol/B4: 7.1618	Sterimol/L: 11.4968

Surface and Volume Properties
Accessible surface: 500.525	Positive charged surface: 313.945	Negative charged surface: 186.58	Volume: 309.5
Hydrophobic surface: 391.953	Hydrophilic surface: 108.572

Pharmacophoric Properties
Hydrogen bond donors: 1	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.