MMsINC Database Search


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MMsINC code: MMs00837847

Type: Neutral
Formula: C₁₄H₁₁FN₂O₂

SMILES:

Fc1cc(ccc1)C(=O)Nc1ccccc1C(=O)N

InChI:

InChI=1/C14H11FN2O2/c15-10-5-3-4-9(8-10)14(19)17-12-7-2-1-6-11(12)13(16)18/h1-8H,(H2,16,18)(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.683 kcal/mol

Physical Properties
Molecular Weight: 258.252 g/mol	logS: -3.90197	SlogP: 2.1769	Reactive groups: 0

Topological Properties
Globularity: 0.0214248	Sterimol/B1: 2.49339	Sterimol/B2: 2.66896	Sterimol/B3: 3.45819
Sterimol/B4: 6.30428	Sterimol/L: 14.0211

Surface and Volume Properties
Accessible surface: 454.177	Positive charged surface: 238.61	Negative charged surface: 215.567	Volume: 231.75
Hydrophobic surface: 332.891	Hydrophilic surface: 121.286

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.