MMsINC Database Search


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MMsINC code: MMs01397902

Type: Neutral
Formula: C₁₄H₁₂FNO₄

SMILES:

Fc1ccccc1COC(=O)CNC(=O)c1occc1

InChI:

InChI=1/C14H12FNO4/c15-11-5-2-1-4-10(11)9-20-13(17)8-16-14(18)12-6-3-7-19-12/h1-7H,8-9H2,(H,16,18)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=41.8567 kcal/mol

Physical Properties
Molecular Weight: 277.251 g/mol	logS: -3.75363	SlogP: 2.1583	Reactive groups: 1

Topological Properties
Globularity: 0.00459393	Sterimol/B1: 2.37335	Sterimol/B2: 2.3771	Sterimol/B3: 2.55661
Sterimol/B4: 5.58253	Sterimol/L: 18.2579

Surface and Volume Properties
Accessible surface: 512.543	Positive charged surface: 266.92	Negative charged surface: 245.623	Volume: 246.75
Hydrophobic surface: 411.199	Hydrophilic surface: 101.344

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.