MMsINC Database Search


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MMsINC code: MMs00125953

Type: Neutral
Formula: C₁₄H₁₁NO₃

SMILES:

Oc1ccccc1C(=O)NC(=O)c1ccccc1

InChI:

InChI=1/C14H11NO3/c16-12-9-5-4-8-11(12)14(18)15-13(17)10-6-2-1-3-7-10/h1-9,16H,(H,15,17,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.1821 kcal/mol

Physical Properties
Molecular Weight: 241.246 g/mol	logS: -3.32427	SlogP: 1.9624	Reactive groups: 0

Topological Properties
Globularity: 0.00165311	Sterimol/B1: 2.11183	Sterimol/B2: 2.22901	Sterimol/B3: 3.5689
Sterimol/B4: 4.94579	Sterimol/L: 14.6278

Surface and Volume Properties
Accessible surface: 454.087	Positive charged surface: 233.72	Negative charged surface: 220.367	Volume: 224.875
Hydrophobic surface: 346.047	Hydrophilic surface: 108.04

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.