MMsINC Database Search


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MMsINC code: MMs00120802

Type: Neutral
Formula: C₁₇H₁₃FN₂O₂

SMILES:

Fc1cc(NC(=O)c2c(noc2C)-c2ccccc2)ccc1

InChI:

InChI=1/C17H13FN2O2/c1-11-15(16(20-22-11)12-6-3-2-4-7-12)17(21)19-14-9-5-8-13(18)10-14/h2-10H,1H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.4577 kcal/mol

Physical Properties
Molecular Weight: 296.301 g/mol	logS: -5.00477	SlogP: 4.04142	Reactive groups: 0

Topological Properties
Globularity: 0.0817121	Sterimol/B1: 2.45787	Sterimol/B2: 3.07149	Sterimol/B3: 3.88701
Sterimol/B4: 9.31871	Sterimol/L: 14.0319

Surface and Volume Properties
Accessible surface: 521.168	Positive charged surface: 243.237	Negative charged surface: 277.93	Volume: 272.875
Hydrophobic surface: 458.73	Hydrophilic surface: 62.438

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.