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MMsINC code: MMs02440579

Type: Neutral
Formula: C₁₉H₂₀N₂O₃

SMILES:

O=C1N(C(Cc2ccccc2)C(O)=O)C(NC1C)c1ccccc1

InChI:

InChI=1/C19H20N2O3/c1-13-18(22)21(17(20-13)15-10-6-3-7-11-15)16(19(23)24)12-14-8-4-2-5-9-14/h2-11,13,16-17,20H,12H2,1H3,(H,23,24)/t13-,16+,17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.2593 kcal/mol

Physical Properties
Molecular Weight: 324.38 g/mol	logS: -3.37395	SlogP: 2.29687	Reactive groups: 0

Topological Properties
Globularity: 0.481368	Sterimol/B1: 2.34496	Sterimol/B2: 3.83487	Sterimol/B3: 4.55632
Sterimol/B4: 8.71241	Sterimol/L: 11.0607

Surface and Volume Properties
Accessible surface: 498.365	Positive charged surface: 311.554	Negative charged surface: 186.811	Volume: 313.25
Hydrophobic surface: 353.931	Hydrophilic surface: 144.434

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 3

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

MMs02440580
NCID-ZINC05104241