MMsINC Database Search


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MMsINC code: MMs03415767

Type: Neutral
Formula: C₁₅H₁₅FN₂O₂

SMILES:

Fc1cc(C(=O)Nc2ccc(N(C)C)cc2)c(O)cc1

InChI:

InChI=1/C15H15FN2O2/c1-18(2)12-6-4-11(5-7-12)17-15(20)13-9-10(16)3-8-14(13)19/h3-9,19H,1-2H3,(H,17,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.8344 kcal/mol

Physical Properties
Molecular Weight: 274.295 g/mol	logS: -3.21531	SlogP: 2.8496	Reactive groups: 0

Topological Properties
Globularity: 0.0221686	Sterimol/B1: 2.52797	Sterimol/B2: 3.06539	Sterimol/B3: 3.10577
Sterimol/B4: 5.09234	Sterimol/L: 16.5103

Surface and Volume Properties
Accessible surface: 502.567	Positive charged surface: 326.932	Negative charged surface: 175.635	Volume: 259.25
Hydrophobic surface: 427.601	Hydrophilic surface: 74.966

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.