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MMsINC code: MMs00996938

Type: Neutral
Formula: C₂₀H₁₅NO₄

SMILES:

O(CC)c1cc2c(NC(=CC2=O)C2C(=O)c3c(cccc3)C2=O)cc1

InChI:

InChI=1/C20H15NO4/c1-2-25-11-7-8-15-14(9-11)17(22)10-16(21-15)18-19(23)12-5-3-4-6-13(12)20(18)24/h3-10,18H,2H2,1H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.991 kcal/mol

Physical Properties
Molecular Weight: 333.343 g/mol	logS: -4.89353	SlogP: 3.2728	Reactive groups: 1

Topological Properties
Globularity: 0.0546644	Sterimol/B1: 3.18754	Sterimol/B2: 4.05935	Sterimol/B3: 4.16317
Sterimol/B4: 6.76376	Sterimol/L: 16.5824

Surface and Volume Properties
Accessible surface: 573.364	Positive charged surface: 313.119	Negative charged surface: 260.245	Volume: 304
Hydrophobic surface: 414.61	Hydrophilic surface: 158.754

Pharmacophoric Properties
Hydrogen bond donors: 1	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

MMs00996939
CHEMDIV-ZINC05634151