MMsINC Database Search


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MMsINC code: MMs01720381

Type: Neutral
Formula: C₁₉H₁₇F₂N₃O₅

SMILES:

FC(F)Oc1ccccc1NC(=O)CN1C=Nc2c(cc(OC)c(OC)c2)C1=O

InChI:

InChI=1/C19H17F2N3O5/c1-27-15-7-11-13(8-16(15)28-2)22-10-24(18(11)26)9-17(25)23-12-5-3-4-6-14(12)29-19(20)21/h3-8,10,19H,9H2,1-2H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.59 kcal/mol

Physical Properties
Molecular Weight: 405.357 g/mol	logS: -4.21318	SlogP: 3.4794	Reactive groups: 0

Topological Properties
Globularity: 0.0772202	Sterimol/B1: 2.17508	Sterimol/B2: 3.30981	Sterimol/B3: 5.10354
Sterimol/B4: 7.2906	Sterimol/L: 18.5873

Surface and Volume Properties
Accessible surface: 647.505	Positive charged surface: 432.734	Negative charged surface: 214.771	Volume: 343.625
Hydrophobic surface: 440.39	Hydrophilic surface: 207.115

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 6	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.