MMsINC Database Search


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MMsINC code: MMs01212238

Type: Neutral
Formula: C₁₉H₂₃FN₂O₃

SMILES:

Fc1cc(ccc1)C(=O)N1C(COC12CCCCC2)C(=O)NC1CC1

InChI:

InChI=1/C19H23FN2O3/c20-14-6-4-5-13(11-14)18(24)22-16(17(23)21-15-7-8-15)12-25-19(22)9-2-1-3-10-19/h4-6,11,15-16H,1-3,7-10,12H2,(H,21,23)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=247.94 kcal/mol

Physical Properties
Molecular Weight: 346.402 g/mol	logS: -4.26353	SlogP: 2.6057	Reactive groups: 0

Topological Properties
Globularity: 0.122972	Sterimol/B1: 2.42311	Sterimol/B2: 3.53463	Sterimol/B3: 4.16306
Sterimol/B4: 8.51445	Sterimol/L: 13.8792

Surface and Volume Properties
Accessible surface: 532.117	Positive charged surface: 361.301	Negative charged surface: 170.816	Volume: 318.5
Hydrophobic surface: 461.61	Hydrophilic surface: 70.507

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.