MMsINC Database Search


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MMsINC code: MMs01440053

Type: Neutral
Formula: C₁₈H₁₅F₂NO₄

SMILES:

Fc1cc(F)ccc1C(OC(C(=O)Nc1ccc(cc1)C(=O)C)C)=O

InChI:

InChI=1/C18H15F2NO4/c1-10(22)12-3-6-14(7-4-12)21-17(23)11(2)25-18(24)15-8-5-13(19)9-16(15)20/h3-9,11H,1-2H3,(H,21,23)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.0581 kcal/mol

Physical Properties
Molecular Weight: 347.317 g/mol	logS: -4.99248	SlogP: 3.3514	Reactive groups: 0

Topological Properties
Globularity: 0.0296298	Sterimol/B1: 2.2109	Sterimol/B2: 2.52185	Sterimol/B3: 4.1121
Sterimol/B4: 7.20362	Sterimol/L: 18.1811

Surface and Volume Properties
Accessible surface: 589.075	Positive charged surface: 304.67	Negative charged surface: 284.405	Volume: 305.625
Hydrophobic surface: 461.228	Hydrophilic surface: 127.847

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.