MMsINC Database Search


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MMsINC code: MMs01323800

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₃

SMILES:

FC(F)Oc1ccc(cc1)-c1nn(cc1C(OC)=O)-c1ccccc1

InChI:

InChI=1/C18H14F2N2O3/c1-24-17(23)15-11-22(13-5-3-2-4-6-13)21-16(15)12-7-9-14(10-8-12)25-18(19)20/h2-11,18H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=94.9613 kcal/mol

Physical Properties
Molecular Weight: 344.317 g/mol	logS: -4.44995	SlogP: 4.3472	Reactive groups: 0

Topological Properties
Globularity: 0.0218291	Sterimol/B1: 2.42038	Sterimol/B2: 2.6779	Sterimol/B3: 3.52242
Sterimol/B4: 9.5419	Sterimol/L: 17.4106

Surface and Volume Properties
Accessible surface: 576.661	Positive charged surface: 318.166	Negative charged surface: 258.495	Volume: 303.125
Hydrophobic surface: 433.952	Hydrophilic surface: 142.709

Pharmacophoric Properties
Hydrogen bond donors: 0	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.