MMsINC Database Search


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MMsINC code: MMs01547914

Type: Neutral
Formula: C₁₄H₁₃FN₂O₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2n(ccc2)C)ccc1

InChI:

InChI=1/C14H13FN2O3/c1-17-7-3-6-12(17)14(19)20-9-13(18)16-11-5-2-4-10(15)8-11/h2-8H,9H2,1H3,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0009 kcal/mol

Physical Properties
Molecular Weight: 276.267 g/mol	logS: -2.54817	SlogP: 2.3189	Reactive groups: 0

Topological Properties
Globularity: 0.0172593	Sterimol/B1: 2.34659	Sterimol/B2: 2.47533	Sterimol/B3: 2.92157
Sterimol/B4: 6.02614	Sterimol/L: 16.7872

Surface and Volume Properties
Accessible surface: 509.54	Positive charged surface: 297.648	Negative charged surface: 211.893	Volume: 250.875
Hydrophobic surface: 405.517	Hydrophilic surface: 104.023

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.