MMsINC Database Search


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MMsINC code: MMs01978019

Type: Neutral
Formula: C₁₁H₉FN₂O₂

SMILES:

Fc1ccccc1NC(=O)c1ocnc1C

InChI:

InChI=1/C11H9FN2O2/c1-7-10(16-6-13-7)11(15)14-9-5-3-2-4-8(9)12/h2-6H,1H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.5215 kcal/mol

Physical Properties
Molecular Weight: 220.203 g/mol	logS: -2.93069	SlogP: 2.37442	Reactive groups: 0

Topological Properties
Globularity: 0.0210445	Sterimol/B1: 2.09122	Sterimol/B2: 2.12337	Sterimol/B3: 2.88114
Sterimol/B4: 5.83975	Sterimol/L: 12.8234

Surface and Volume Properties
Accessible surface: 414.22	Positive charged surface: 253.689	Negative charged surface: 160.53	Volume: 194.375
Hydrophobic surface: 312.293	Hydrophilic surface: 101.927

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.