MMsINC Database Search


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MMsINC code: MMs01629442

Type: Neutral
Formula: C₁₅H₁₀FNO₄

SMILES:

Fc1ccc(cc1)\C=C\C(Oc1cc([N+](=O)[O-])ccc1)=O

InChI:

InChI=1/C15H10FNO4/c16-12-7-4-11(5-8-12)6-9-15(18)21-14-3-1-2-13(10-14)17(19)20/h1-10H/b9-6+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=82.867 kcal/mol

Physical Properties
Molecular Weight: 287.246 g/mol	logS: -5.08997	SlogP: 3.3527	Reactive groups: 0

Topological Properties
Globularity: 0.0440689	Sterimol/B1: 2.49984	Sterimol/B2: 2.65446	Sterimol/B3: 3.98831
Sterimol/B4: 6.03257	Sterimol/L: 17.0189

Surface and Volume Properties
Accessible surface: 503.868	Positive charged surface: 205.716	Negative charged surface: 298.152	Volume: 249.75
Hydrophobic surface: 385.796	Hydrophilic surface: 118.072

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.