MMsINC Database Search


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MMsINC code: MMs00835712

Type: Neutral
Formula: C₁₄H₁₁FN₂O₃

SMILES:

Fc1cc(NC(=O)c2nc(ccc2)C(OC)=O)ccc1

InChI:

InChI=1/C14H11FN2O3/c1-20-14(19)12-7-3-6-11(17-12)13(18)16-10-5-2-4-9(15)8-10/h2-8H,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.807 kcal/mol

Physical Properties
Molecular Weight: 274.251 g/mol	logS: -3.07928	SlogP: 2.2596	Reactive groups: 0

Topological Properties
Globularity: 0.023352	Sterimol/B1: 2.42285	Sterimol/B2: 2.48564	Sterimol/B3: 3.03832
Sterimol/B4: 8.37461	Sterimol/L: 14.5797

Surface and Volume Properties
Accessible surface: 499.522	Positive charged surface: 293.421	Negative charged surface: 206.101	Volume: 242.25
Hydrophobic surface: 392.321	Hydrophilic surface: 107.201

Pharmacophoric Properties
Hydrogen bond donors: 1	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.