MMsINC Database Search


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MMsINC code: MMs01470694

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

Fc1ccc(NC(=O)COC(=O)c2ccc(cc2)CC)cc1

InChI:

InChI=1/C17H16FNO3/c1-2-12-3-5-13(6-4-12)17(21)22-11-16(20)19-15-9-7-14(18)8-10-15/h3-10H,2,11H2,1H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.9951 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -5.04716	SlogP: 3.18357	Reactive groups: 0

Topological Properties
Globularity: 0.0162552	Sterimol/B1: 2.14356	Sterimol/B2: 3.1505	Sterimol/B3: 3.49504
Sterimol/B4: 5.95332	Sterimol/L: 18.6265

Surface and Volume Properties
Accessible surface: 561.912	Positive charged surface: 322.175	Negative charged surface: 239.737	Volume: 282.625
Hydrophobic surface: 455.103	Hydrophilic surface: 106.809

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.