MMsINC Database Search


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MMsINC code: MMs01540169

Type: Neutral
Formula: C₁₉H₁₈N₂O₄

SMILES:

O=C1N(Cc2ccc(cc2)C(OC)=O)C(=O)NC1(C)c1ccccc1

InChI:

InChI=1/C19H18N2O4/c1-19(15-6-4-3-5-7-15)17(23)21(18(24)20-19)12-13-8-10-14(11-9-13)16(22)25-2/h3-11H,12H2,1-2H3,(H,20,24)/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.0932 kcal/mol

Physical Properties
Molecular Weight: 338.363 g/mol	logS: -4.27923	SlogP: 3.0183	Reactive groups: 0

Topological Properties
Globularity: 0.128249	Sterimol/B1: 3.15137	Sterimol/B2: 4.28831	Sterimol/B3: 4.44298
Sterimol/B4: 7.12988	Sterimol/L: 15.3784

Surface and Volume Properties
Accessible surface: 579.579	Positive charged surface: 363.732	Negative charged surface: 215.847	Volume: 318
Hydrophobic surface: 439.339	Hydrophilic surface: 140.24

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.