MMsINC Database Search


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MMsINC code: MMs02699814

Type: Neutral
Formula: C₁₄H₉FN₂O₃

SMILES:

Fc1cc(ccc1)-c1oc(cc1)\C=C/1\NC(=O)NC\1=O

InChI:

InChI=1/C14H9FN2O3/c15-9-3-1-2-8(6-9)12-5-4-10(20-12)7-11-13(18)17-14(19)16-11/h1-7H,(H2,16,17,18,19)/b11-7+

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2461 kcal/mol

Physical Properties
Molecular Weight: 272.235 g/mol	logS: -4.92148	SlogP: 2.266	Reactive groups: 0

Topological Properties
Globularity: 0.00153463	Sterimol/B1: 2.097	Sterimol/B2: 2.28764	Sterimol/B3: 2.56106
Sterimol/B4: 7.2287	Sterimol/L: 14.8218

Surface and Volume Properties
Accessible surface: 460.774	Positive charged surface: 245.261	Negative charged surface: 215.512	Volume: 231
Hydrophobic surface: 313.893	Hydrophilic surface: 146.881

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.