MMsINC Database Search


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MMsINC code: MMs02707584

Type: Neutral
Formula: C₁₇H₁₃FN₂O₂

SMILES:

Fc1ccccc1NC(=O)Cn1cc(c2c1cccc2)C=O

InChI:

InChI=1/C17H13FN2O2/c18-14-6-2-3-7-15(14)19-17(22)10-20-9-12(11-21)13-5-1-4-8-16(13)20/h1-9,11H,10H2,(H,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=74.4379 kcal/mol

Physical Properties
Molecular Weight: 296.301 g/mol	logS: -3.86631	SlogP: 3.498	Reactive groups: 1

Topological Properties
Globularity: 0.121999	Sterimol/B1: 3.04953	Sterimol/B2: 3.30179	Sterimol/B3: 4.72224
Sterimol/B4: 7.56483	Sterimol/L: 14.3133

Surface and Volume Properties
Accessible surface: 521.876	Positive charged surface: 279.118	Negative charged surface: 236.915	Volume: 272
Hydrophobic surface: 415.182	Hydrophilic surface: 106.694

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.