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MMsINC code: MMs03315341

Type: Neutral
Formula: C₁₅H₁₃NO₄

SMILES:

O(C(=O)c1ccccc1C(O)=O)CCc1ncccc1

InChI:

InChI=1/C15H13NO4/c17-14(18)12-6-1-2-7-13(12)15(19)20-10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.3797 kcal/mol

Physical Properties
Molecular Weight: 271.272 g/mol	logS: -2.46016	SlogP: 2.17927	Reactive groups: 0

Topological Properties
Globularity: 0.0316204	Sterimol/B1: 3.11831	Sterimol/B2: 3.24851	Sterimol/B3: 3.37002
Sterimol/B4: 6.45447	Sterimol/L: 16.2049

Surface and Volume Properties
Accessible surface: 518.015	Positive charged surface: 320.255	Negative charged surface: 197.761	Volume: 253.625
Hydrophobic surface: 398.981	Hydrophilic surface: 119.034

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs03315342
PUBCHEM-ZINC05589382