MMsINC Database Search


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MMsINC code: MMs03076895

Type: Neutral
Formula: C₁₆H₁₄F₂N₂O₄

SMILES:

Fc1cccc(F)c1COc1cc2OCC(N(O)C(=O)N)c2cc1

InChI:

InChI=1/C16H14F2N2O4/c17-12-2-1-3-13(18)11(12)7-23-9-4-5-10-14(20(22)16(19)21)8-24-15(10)6-9/h1-6,14,22H,7-8H2,(H2,19,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8263 kcal/mol

Physical Properties
Molecular Weight: 336.294 g/mol	logS: -3.88907	SlogP: 3.1091	Reactive groups: 0

Topological Properties
Globularity: 0.0663035	Sterimol/B1: 3.13984	Sterimol/B2: 3.95499	Sterimol/B3: 4.40529
Sterimol/B4: 4.69027	Sterimol/L: 16.3536

Surface and Volume Properties
Accessible surface: 544.935	Positive charged surface: 313.479	Negative charged surface: 231.456	Volume: 280.875
Hydrophobic surface: 398.344	Hydrophilic surface: 146.591

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.