MMsINC Database Search


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MMsINC code: MMs02078904

Type: Neutral
Formula: C₁₁H₁₂F₂N₂O₃

SMILES:

Fc1cc(F)ccc1NC(=O)C(=O)NCCOC

InChI:

InChI=1/C11H12F2N2O3/c1-18-5-4-14-10(16)11(17)15-9-3-2-7(12)6-8(9)13/h2-3,6H,4-5H2,1H3,(H,14,16)(H,15,17)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=61.9807 kcal/mol

Physical Properties
Molecular Weight: 258.224 g/mol	logS: -2.49214	SlogP: 0.6659	Reactive groups: 0

Topological Properties
Globularity: 0.0369337	Sterimol/B1: 2.4327	Sterimol/B2: 2.53209	Sterimol/B3: 3.6505
Sterimol/B4: 5.59671	Sterimol/L: 15.8378

Surface and Volume Properties
Accessible surface: 478.303	Positive charged surface: 308.094	Negative charged surface: 170.209	Volume: 221
Hydrophobic surface: 376.805	Hydrophilic surface: 101.498

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.