MMsINC Database Search


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MMsINC code: MMs02630066

Type: Neutral
Formula: C₁₆H₁₀FNO₂

SMILES:

Fc1cc\2c(NC(=O)/C/2=C\C(=O)c2ccccc2)cc1

InChI:

InChI=1/C16H10FNO2/c17-11-6-7-14-12(8-11)13(16(20)18-14)9-15(19)10-4-2-1-3-5-10/h1-9H,(H,18,20)/b13-9-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3717 kcal/mol

Physical Properties
Molecular Weight: 267.259 g/mol	logS: -4.61901	SlogP: 3.0441	Reactive groups: 1

Topological Properties
Globularity: 0.000889644	Sterimol/B1: 2.18157	Sterimol/B2: 2.25696	Sterimol/B3: 3.86928
Sterimol/B4: 5.47773	Sterimol/L: 15.2802

Surface and Volume Properties
Accessible surface: 467.849	Positive charged surface: 232.331	Negative charged surface: 235.518	Volume: 241.625
Hydrophobic surface: 376.201	Hydrophilic surface: 91.648

Pharmacophoric Properties
Hydrogen bond donors: 1	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.