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MMsINC code: MMs00790329

Type: Neutral
Formula: C₁₉H₁₅NO₄

SMILES:

Oc1cc(C(O)=O)c(NC(=O)Cc2c3c(ccc2)cccc3)cc1

InChI:

InChI=1/C19H15NO4/c21-14-8-9-17(16(11-14)19(23)24)20-18(22)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,21H,10H2,(H,20,22)(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=92.6293 kcal/mol

Physical Properties
Molecular Weight: 321.332 g/mol	logS: -4.90167	SlogP: 3.42477	Reactive groups: 0

Topological Properties
Globularity: 0.143854	Sterimol/B1: 2.35723	Sterimol/B2: 2.86225	Sterimol/B3: 5.87554
Sterimol/B4: 6.48035	Sterimol/L: 14.814

Surface and Volume Properties
Accessible surface: 552.746	Positive charged surface: 311.925	Negative charged surface: 231.979	Volume: 298
Hydrophobic surface: 392.574	Hydrophilic surface: 160.172

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

MMs00790330
CHEMBRIDGE-ZINC04813921