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MMsINC code: MMs02301196

Type: Neutral
Formula: C₁₅H₁₈N₂O₅

SMILES:

OC(=O)C(NC(=O)C)CCC(=O)c1ccc(NC(=O)C)cc1

InChI:

InChI=1/C15H18N2O5/c1-9(18)16-12-5-3-11(4-6-12)14(20)8-7-13(15(21)22)17-10(2)19/h3-6,13H,7-8H2,1-2H3,(H,16,18)(H,17,19)(H,21,22)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.59 kcal/mol

Physical Properties
Molecular Weight: 306.318 g/mol	logS: -2.1587	SlogP: 1.1972	Reactive groups: 0

Topological Properties
Globularity: 0.0404912	Sterimol/B1: 2.73456	Sterimol/B2: 3.68979	Sterimol/B3: 4.14572
Sterimol/B4: 5.88776	Sterimol/L: 16.9603

Surface and Volume Properties
Accessible surface: 569.213	Positive charged surface: 340.859	Negative charged surface: 228.354	Volume: 283.25
Hydrophobic surface: 352.163	Hydrophilic surface: 217.05

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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

MMs02301197
NCID-ZINC01664993