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MMsINC code: MMs00831469

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O=C1N(C(=O)C2C1CC=CC2)c1ccc(cc1)C(O)=O

InChI:

InChI=1/C15H13NO4/c17-13-11-3-1-2-4-12(11)14(18)16(13)10-7-5-9(6-8-10)15(19)20/h1-2,5-8,11-12H,3-4H2,(H,19,20)/t11-,12-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=56.3952 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -1.91799	SlogP: 1.8404	Reactive groups: 0

Topological Properties
Globularity: 0.0187034	Sterimol/B1: 2.72556	Sterimol/B2: 2.81817	Sterimol/B3: 3.01475
Sterimol/B4: 5.31133	Sterimol/L: 15.6179

Surface and Volume Properties
Accessible surface: 463.663	Positive charged surface: 266.507	Negative charged surface: 197.156	Volume: 244.125
Hydrophobic surface: 277.295	Hydrophilic surface: 186.368

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs00831470
CHEMDIV-ZINC00084176