MMsINC Database Search


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MMsINC code: MMs00853902

Type: Neutral
Formula: C₁₆H₁₁NO₅

SMILES:

Oc1ccc(cc1N1C(=O)c2c(cccc2)C1=O)C(OC)=O

InChI:

InChI=1/C16H11NO5/c1-22-16(21)9-6-7-13(18)12(8-9)17-14(19)10-4-2-3-5-11(10)15(17)20/h2-8,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.8738 kcal/mol

Physical Properties
Molecular Weight: 297.266 g/mol	logS: -3.77837	SlogP: 1.9794	Reactive groups: 0

Topological Properties
Globularity: 0.0725321	Sterimol/B1: 2.23135	Sterimol/B2: 3.86698	Sterimol/B3: 4.13484
Sterimol/B4: 6.54979	Sterimol/L: 16.3137

Surface and Volume Properties
Accessible surface: 514.042	Positive charged surface: 296.164	Negative charged surface: 217.878	Volume: 261.375
Hydrophobic surface: 360.469	Hydrophilic surface: 153.573

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: no related molecules available.