MMsINC Database Search


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MMsINC code: MMs03779630

Type: Neutral
Formula: C₁₀H₁₁FN₂O₄

SMILES:

FC1=CC(OC1N1C=C(C)C(=O)NC1=O)CO

InChI:

InChI=1/C10H11FN2O4/c1-5-3-13(10(16)12-8(5)15)9-7(11)2-6(4-14)17-9/h2-3,6,9,14H,4H2,1H3,(H,12,15,16)/t6-,9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=13.849 kcal/mol

Physical Properties
Molecular Weight: 242.206 g/mol	logS: -1.18874	SlogP: 0.1215	Reactive groups: 0

Topological Properties
Globularity: 0.0838437	Sterimol/B1: 2.07855	Sterimol/B2: 3.16928	Sterimol/B3: 3.27641
Sterimol/B4: 7.04624	Sterimol/L: 11.749

Surface and Volume Properties
Accessible surface: 416.997	Positive charged surface: 250.035	Negative charged surface: 166.962	Volume: 199.375
Hydrophobic surface: 224.713	Hydrophilic surface: 192.284

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.