MMsINC Database Search


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MMsINC code: MMs00628624

Type: Neutral
Formula: C₁₇H₁₆F₂N₂O₂

SMILES:

Fc1ccccc1NC(=O)CCCC(=O)Nc1ccccc1F

InChI:

InChI=1/C17H16F2N2O2/c18-12-6-1-3-8-14(12)20-16(22)10-5-11-17(23)21-15-9-4-2-7-13(15)19/h1-4,6-9H,5,10-11H2,(H,20,22)(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.8947 kcal/mol

Physical Properties
Molecular Weight: 318.323 g/mol	logS: -4.13897	SlogP: 3.7123	Reactive groups: 0

Topological Properties
Globularity: 0.0171754	Sterimol/B1: 2.097	Sterimol/B2: 2.45232	Sterimol/B3: 3.50438
Sterimol/B4: 5.25779	Sterimol/L: 19.2091

Surface and Volume Properties
Accessible surface: 568.881	Positive charged surface: 328.909	Negative charged surface: 239.972	Volume: 289.375
Hydrophobic surface: 491.058	Hydrophilic surface: 77.823

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.