MMsINC Database Search


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MMsINC code: MMs03397432

Type: Neutral
Formula: C₁₈H₁₄FNO₃

SMILES:

Fc1cc(ccc1)C1NC(=O)C(=O)C1C(=O)c1ccc(cc1)C

InChI:

InChI=1/C18H14FNO3/c1-10-5-7-11(8-6-10)16(21)14-15(20-18(23)17(14)22)12-3-2-4-13(19)9-12/h2-9,14-15H,1H3,(H,20,23)/t14-,15+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.1664 kcal/mol

Physical Properties
Molecular Weight: 311.312 g/mol	logS: -4.63583	SlogP: 2.46872	Reactive groups: 0

Topological Properties
Globularity: 0.131879	Sterimol/B1: 3.10992	Sterimol/B2: 3.67989	Sterimol/B3: 4.49053
Sterimol/B4: 6.82295	Sterimol/L: 14.366

Surface and Volume Properties
Accessible surface: 533.933	Positive charged surface: 257.834	Negative charged surface: 276.099	Volume: 283.625
Hydrophobic surface: 396.422	Hydrophilic surface: 137.511

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.