MMsINC Database Search


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MMsINC code: MMs01200454

Type: Neutral
Formula: C₁₉H₂₅FN₂O₃

SMILES:

Fc1ccc(cc1)C(=O)N1C(COC12CCCCC2)C(=O)NC(C)C

InChI:

InChI=1/C19H25FN2O3/c1-13(2)21-17(23)16-12-25-19(10-4-3-5-11-19)22(16)18(24)14-6-8-15(20)9-7-14/h6-9,13,16H,3-5,10-12H2,1-2H3,(H,21,23)/t16-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=293.197 kcal/mol

Physical Properties
Molecular Weight: 348.418 g/mol	logS: -4.36557	SlogP: 2.8517	Reactive groups: 0

Topological Properties
Globularity: 0.122673	Sterimol/B1: 3.4216	Sterimol/B2: 4.37363	Sterimol/B3: 4.59478
Sterimol/B4: 6.3876	Sterimol/L: 13.8465

Surface and Volume Properties
Accessible surface: 538.399	Positive charged surface: 353.409	Negative charged surface: 184.989	Volume: 323.625
Hydrophobic surface: 464.001	Hydrophilic surface: 74.398

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.