MMsINC Database Search


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MMsINC code: MMs00051446

Type: Neutral
Formula: C₁₆H₁₁NO₃

SMILES:

Oc1ccccc1NC1=CC(=O)C(=O)c2c1cccc2

InChI:

InChI=1/C16H11NO3/c18-14-8-4-3-7-12(14)17-13-9-15(19)16(20)11-6-2-1-5-10(11)13/h1-9,17-18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=99.4713 kcal/mol

Physical Properties
Molecular Weight: 265.268 g/mol	logS: -3.94376	SlogP: 2.6106	Reactive groups: 1

Topological Properties
Globularity: 0.166912	Sterimol/B1: 2.52121	Sterimol/B2: 2.94926	Sterimol/B3: 5.00928
Sterimol/B4: 7.53705	Sterimol/L: 12.6911

Surface and Volume Properties
Accessible surface: 455.883	Positive charged surface: 240.405	Negative charged surface: 215.478	Volume: 243.5
Hydrophobic surface: 309.901	Hydrophilic surface: 145.982

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.