MMsINC Database Search


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MMsINC code: MMs01371147

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1N(Cc2ccc(cc2)C(OC)=O)C(=O)NC1Cc1ccccc1

InChI:

InChI=1/C19H18N2O4/c1-25-18(23)15-9-7-14(8-10-15)12-21-17(22)16(20-19(21)24)11-13-5-3-2-4-6-13/h2-10,16H,11-12H2,1H3,(H,20,24)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.4646 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.01349	SlogP: 2.40267	Reactive groups: 0

Topological Properties
Globularity: 0.0733614	Sterimol/B1: 2.54912	Sterimol/B2: 3.2389	Sterimol/B3: 4.48361
Sterimol/B4: 6.85279	Sterimol/L: 18.5403

Surface and Volume Properties
Accessible surface: 596.486	Positive charged surface: 371.693	Negative charged surface: 224.793	Volume: 319
Hydrophobic surface: 460.811	Hydrophilic surface: 135.675

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.