MMsINC Database Search


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MMsINC code: MMs02082820

Type: Neutral
Formula: C₁₁H₁₂F₂N₂O₃

SMILES:

Fc1ccc(F)cc1NC(=O)C(=O)NCCOC

InChI:

InChI=1/C11H12F2N2O3/c1-18-5-4-14-10(16)11(17)15-9-6-7(12)2-3-8(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)=63.2376 kcal/mol

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

Topological Properties
Globularity: 0.0376596	Sterimol/B1: 2.44056	Sterimol/B2: 2.82072	Sterimol/B3: 3.64783
Sterimol/B4: 5.5765	Sterimol/L: 15.594

Surface and Volume Properties
Accessible surface: 478.997	Positive charged surface: 308.856	Negative charged surface: 170.141	Volume: 219.125
Hydrophobic surface: 377.499	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.