MMsINC Database Search


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MMsINC code: MMs01635289

Type: Neutral
Formula: C₁₇H₁₁F₂N₃O₂

SMILES:

FC(F)Oc1ccc(Nc2ncnc3c2oc2c3cccc2)cc1

InChI:

InChI=1/C17H11F2N3O2/c18-17(19)23-11-7-5-10(6-8-11)22-16-15-14(20-9-21-16)12-3-1-2-4-13(12)24-15/h1-9,17H,(H,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.3465 kcal/mol

Physical Properties
Molecular Weight: 327.29 g/mol	logS: -5.61438	SlogP: 5.1409	Reactive groups: 0

Topological Properties
Globularity: 0.0164519	Sterimol/B1: 2.87344	Sterimol/B2: 3.13021	Sterimol/B3: 4.16764
Sterimol/B4: 4.85705	Sterimol/L: 17.8

Surface and Volume Properties
Accessible surface: 540.791	Positive charged surface: 306.063	Negative charged surface: 229.479	Volume: 277.625
Hydrophobic surface: 363.155	Hydrophilic surface: 177.636

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.