MMsINC Database Search


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MMsINC code: MMs01417737

Type: Neutral
Formula: C₁₇H₁₅F₂NO₃

SMILES:

Fc1cccc(F)c1C(OCC(=O)Nc1cc(cc(c1)C)C)=O

InChI:

InChI=1/C17H15F2NO3/c1-10-6-11(2)8-12(7-10)20-15(21)9-23-17(22)16-13(18)4-3-5-14(16)19/h3-8H,9H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.8985 kcal/mol

Physical Properties
Molecular Weight: 319.307 g/mol	logS: -5.30084	SlogP: 3.37714	Reactive groups: 0

Topological Properties
Globularity: 0.0447072	Sterimol/B1: 2.53868	Sterimol/B2: 3.3246	Sterimol/B3: 4.23436
Sterimol/B4: 6.33642	Sterimol/L: 17.5148

Surface and Volume Properties
Accessible surface: 577.15	Positive charged surface: 312.166	Negative charged surface: 264.984	Volume: 285.625
Hydrophobic surface: 495.141	Hydrophilic surface: 82.009

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

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.