MMsINC Database Search


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MMsINC code: MMs01246991

Type: Neutral
Formula: C₁₇H₁₆FNO₃

SMILES:

Fc1ccc(NC(=O)C(OC(=O)c2cc(ccc2)C)C)cc1

InChI:

InChI=1/C17H16FNO3/c1-11-4-3-5-13(10-11)17(21)22-12(2)16(20)19-15-8-6-14(18)7-9-15/h3-10,12H,1-2H3,(H,19,20)/t12-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.82 kcal/mol

Physical Properties
Molecular Weight: 301.317 g/mol	logS: -4.85915	SlogP: 3.31812	Reactive groups: 0

Topological Properties
Globularity: 0.0496952	Sterimol/B1: 2.54426	Sterimol/B2: 3.93016	Sterimol/B3: 4.80584
Sterimol/B4: 5.00979	Sterimol/L: 17.9462

Surface and Volume Properties
Accessible surface: 559.143	Positive charged surface: 304.637	Negative charged surface: 254.506	Volume: 283.75
Hydrophobic surface: 474.309	Hydrophilic surface: 84.834

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.