MMsINC Database Search


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MMsINC code: MMs00685900

Type: Neutral
Formula: C₁₅H₁₅FN₂O

SMILES:

Fc1cc(ccc1)C(NC(=O)N)c1ccc(cc1)C

InChI:

InChI=1/C15H15FN2O/c1-10-5-7-11(8-6-10)14(18-15(17)19)12-3-2-4-13(16)9-12/h2-9,14H,1H3,(H3,17,18,19)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=17.7121 kcal/mol

Physical Properties
Molecular Weight: 258.296 g/mol	logS: -4.01502	SlogP: 2.98732	Reactive groups: 0

Topological Properties
Globularity: 0.237497	Sterimol/B1: 3.34383	Sterimol/B2: 3.79015	Sterimol/B3: 4.34366
Sterimol/B4: 7.60713	Sterimol/L: 12.5741

Surface and Volume Properties
Accessible surface: 487.387	Positive charged surface: 277.678	Negative charged surface: 209.71	Volume: 248.375
Hydrophobic surface: 373.254	Hydrophilic surface: 114.133

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.