MMsINC Database Search


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MMsINC code: MMs01233831

Type: Neutral
Formula: C₁₆H₁₄FNO₃

SMILES:

Fc1ccc(cc1)C(=O)Nc1ccc(cc1)C(OCC)=O

InChI:

InChI=1/C16H14FNO3/c1-2-21-16(20)12-5-9-14(10-6-12)18-15(19)11-3-7-13(17)8-4-11/h3-10H,2H2,1H3,(H,18,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.5216 kcal/mol

Physical Properties
Molecular Weight: 287.29 g/mol	logS: -4.35879	SlogP: 3.2547	Reactive groups: 0

Topological Properties
Globularity: 0.0126861	Sterimol/B1: 2.49456	Sterimol/B2: 2.90894	Sterimol/B3: 3.00187
Sterimol/B4: 4.83952	Sterimol/L: 19.093

Surface and Volume Properties
Accessible surface: 538.02	Positive charged surface: 299.898	Negative charged surface: 238.122	Volume: 267
Hydrophobic surface: 437.857	Hydrophilic surface: 100.163

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.