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MMsINC code: MMs00835171

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

Oc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(O)=O

InChI:

InChI=1/C20H15NO4/c22-18-12-6-5-11-17(18)21-19(23)15-9-3-1-7-13(15)14-8-2-4-10-16(14)20(24)25/h1-12,22H,(H,21,23)(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=123.715 kcal/mol

Physical Properties
Molecular Weight: 333.343 g/mol	logS: -5.3887	SlogP: 4.0097	Reactive groups: 0

Topological Properties
Globularity: 0.165744	Sterimol/B1: 3.16851	Sterimol/B2: 3.28005	Sterimol/B3: 5.22843
Sterimol/B4: 8.969	Sterimol/L: 13.1594

Surface and Volume Properties
Accessible surface: 556.933	Positive charged surface: 322.996	Negative charged surface: 232.552	Volume: 307.5
Hydrophobic surface: 434.316	Hydrophilic surface: 122.617

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00835172
CHEMDIV-ZINC00167830