MMsINC Database Search


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MMsINC code: MMs02082852

Type: Neutral
Formula: C₁₀H₁₀F₂N₂O₂

SMILES:

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

InChI:

InChI=1/C10H10F2N2O2/c1-2-13-9(15)10(16)14-8-5-6(11)3-4-7(8)12/h3-5H,2H2,1H3,(H,13,15)(H,14,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.3319 kcal/mol

Physical Properties
Molecular Weight: 228.198 g/mol	logS: -2.67671	SlogP: 1.0394	Reactive groups: 0

Topological Properties
Globularity: 0.0203803	Sterimol/B1: 2.51787	Sterimol/B2: 2.91484	Sterimol/B3: 3.63539
Sterimol/B4: 4.67497	Sterimol/L: 14.7183

Surface and Volume Properties
Accessible surface: 428.772	Positive charged surface: 241.323	Negative charged surface: 187.449	Volume: 193.125
Hydrophobic surface: 307.896	Hydrophilic surface: 120.876

Pharmacophoric Properties
Hydrogen bond donors: 2	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.