MMsINC Database Search


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MMsINC code: MMs00234572

Type: Neutral
Formula: C₁₉H₂₁FN₂O₄

SMILES:

Fc1ccccc1C(=O)Nc1cc(OC)c(NC(=O)CCC)cc1OC

InChI:

InChI=1/C19H21FN2O4/c1-4-7-18(23)21-14-10-17(26-3)15(11-16(14)25-2)22-19(24)12-8-5-6-9-13(12)20/h5-6,8-11H,4,7H2,1-3H3,(H,21,23)(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.104 kcal/mol

Physical Properties
Molecular Weight: 360.385 g/mol	logS: -4.67705	SlogP: 3.8338	Reactive groups: 0

Topological Properties
Globularity: 0.0327948	Sterimol/B1: 2.46783	Sterimol/B2: 3.88963	Sterimol/B3: 5.59475
Sterimol/B4: 6.59064	Sterimol/L: 19.5541

Surface and Volume Properties
Accessible surface: 636.701	Positive charged surface: 456.153	Negative charged surface: 180.548	Volume: 334.875
Hydrophobic surface: 537.032	Hydrophilic surface: 99.669

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.