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MMsINC code: MMs01440316

Type: Neutral
Formula: C₁₄H₁₅F₂NO₄

SMILES:

Fc1cc(F)ccc1C(OCC(=O)NCC1OCCC1)=O

InChI:

InChI=1/C14H15F2NO4/c15-9-3-4-11(12(16)6-9)14(19)21-8-13(18)17-7-10-2-1-5-20-10/h3-4,6,10H,1-2,5,7-8H2,(H,17,18)/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.3363 kcal/mol

Physical Properties
Molecular Weight: 299.273 g/mol	logS: -3.22416	SlogP: 1.4168	Reactive groups: 0

Topological Properties
Globularity: 0.0174359	Sterimol/B1: 2.5562	Sterimol/B2: 3.01566	Sterimol/B3: 3.20721
Sterimol/B4: 5.59327	Sterimol/L: 18.4033

Surface and Volume Properties
Accessible surface: 533.541	Positive charged surface: 340.132	Negative charged surface: 193.409	Volume: 259.75
Hydrophobic surface: 438.875	Hydrophilic surface: 94.666

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.