MMsINC Database Search


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MMsINC code: MMs01706796

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

Fc1ccc(cc1)CC(=O)NCc1ccc(cc1)C(OC)=O

InChI:

InChI=1/C17H16FNO3/c1-22-17(21)14-6-2-13(3-7-14)11-19-16(20)10-12-4-8-15(18)9-5-12/h2-9H,10-11H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=57.6474 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -4.03709	SlogP: 2.73757	Reactive groups: 0

Topological Properties
Globularity: 0.030164	Sterimol/B1: 2.55302	Sterimol/B2: 3.03388	Sterimol/B3: 4.11528
Sterimol/B4: 4.66077	Sterimol/L: 19.611

Surface and Volume Properties
Accessible surface: 572.95	Positive charged surface: 357.844	Negative charged surface: 215.106	Volume: 282.875
Hydrophobic surface: 483.799	Hydrophilic surface: 89.151

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.