MMsINC Database Search


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MMsINC code: MMs01415861

Type: Neutral
Formula: C₂₀H₂₃FN₂O₃

SMILES:

Fc1ccccc1C(OCC(=O)Nc1ccc(N(C(C)C)CC)cc1)=O

InChI:

InChI=1/C20H23FN2O3/c1-4-23(14(2)3)16-11-9-15(10-12-16)22-19(24)13-26-20(25)17-7-5-6-8-18(17)21/h5-12,14H,4,13H2,1-3H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.63 kcal/mol

Physical Properties
Molecular Weight: 358.413 g/mol	logS: -4.96706	SlogP: 3.8559	Reactive groups: 0

Topological Properties
Globularity: 0.031143	Sterimol/B1: 2.14097	Sterimol/B2: 2.64715	Sterimol/B3: 5.6339
Sterimol/B4: 6.61102	Sterimol/L: 20.2439

Surface and Volume Properties
Accessible surface: 639.953	Positive charged surface: 394.517	Negative charged surface: 245.436	Volume: 349.25
Hydrophobic surface: 495.797	Hydrophilic surface: 144.156

Pharmacophoric Properties
Hydrogen bond donors: 1	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.