MMsINC Database Search


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MMsINC code: MMs03480148

Type: Neutral
Formula: C₁₆H₁₃FN₂O₃

SMILES:

Fc1ccc(cc1)C(OC(=O)NC)c1oc2c(n1)cccc2

InChI:

InChI=1/C16H13FN2O3/c1-18-16(20)22-14(10-6-8-11(17)9-7-10)15-19-12-4-2-3-5-13(12)21-15/h2-9,14H,1H3,(H,18,20)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4795 kcal/mol

Physical Properties
Molecular Weight: 300.289 g/mol	logS: -4.13254	SlogP: 3.5078	Reactive groups: 0

Topological Properties
Globularity: 0.148062	Sterimol/B1: 2.1934	Sterimol/B2: 3.81594	Sterimol/B3: 4.04143
Sterimol/B4: 9.5084	Sterimol/L: 14.5041

Surface and Volume Properties
Accessible surface: 539.889	Positive charged surface: 330.175	Negative charged surface: 209.714	Volume: 269.5
Hydrophobic surface: 446.45	Hydrophilic surface: 93.439

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.