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MMsINC code: MMs02224229

Type: Neutral
Formula: C₁₆H₁₅NO₄

SMILES:

O(Cc1ccccc1)c1c(NC=O)c(ccc1C)C(O)=O

InChI:

InChI=1/C16H15NO4/c1-11-7-8-13(16(19)20)14(17-10-18)15(11)21-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.1608 kcal/mol

Physical Properties
Molecular Weight: 285.299 g/mol	logS: -3.4314	SlogP: 3.10692	Reactive groups: 0

Topological Properties
Globularity: 0.039022	Sterimol/B1: 2.31558	Sterimol/B2: 3.23958	Sterimol/B3: 3.30538
Sterimol/B4: 7.74921	Sterimol/L: 15.1071

Surface and Volume Properties
Accessible surface: 496.595	Positive charged surface: 296.971	Negative charged surface: 199.624	Volume: 268.5
Hydrophobic surface: 351.09	Hydrophilic surface: 145.505

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

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

MMs02224230
NCID-ZINC01562229