MMsINC Database Search


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MMsINC code: MMs01639108

Type: Neutral
Formula: C₂₀H₁₈F₂N₂O₃

SMILES:

Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)c2ccc(cc2)CC)C1=O)C

InChI:

InChI=1/C20H18F2N2O3/c1-3-12-4-6-13(7-5-12)17(25)11-24-18(26)20(2,23-19(24)27)15-10-14(21)8-9-16(15)22/h4-10H,3,11H2,1-2H3,(H,23,27)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.1444 kcal/mol

Physical Properties
Molecular Weight: 372.371 g/mol	logS: -5.80795	SlogP: 3.48857	Reactive groups: 0

Topological Properties
Globularity: 0.0658951	Sterimol/B1: 3.52854	Sterimol/B2: 4.57249	Sterimol/B3: 4.81323
Sterimol/B4: 5.0102	Sterimol/L: 17.2508

Surface and Volume Properties
Accessible surface: 605.146	Positive charged surface: 327.635	Negative charged surface: 277.511	Volume: 331.625
Hydrophobic surface: 456.87	Hydrophilic surface: 148.276

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.