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MMsINC code: MMs02352927

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)=63.7477 kcal/mol

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

Topological Properties
Globularity: 0.425541	Sterimol/B1: 2.24014	Sterimol/B2: 2.85992	Sterimol/B3: 6.71579
Sterimol/B4: 8.38255	Sterimol/L: 12.525

Surface and Volume Properties
Accessible surface: 522.708	Positive charged surface: 304.368	Negative charged surface: 218.34	Volume: 316
Hydrophobic surface: 392.167	Hydrophilic surface: 130.541

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

MMs02352928
NCID-ZINC01729792