MMsINC Database Search


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MMsINC code: MMs02150808

Type: Neutral
Formula: C₁₉H₁₅FN₂O₅

SMILES:

Fc1cc(c2OCOCc2c1)CNC(=O)CN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C19H15FN2O5/c20-13-5-11(17-12(6-13)9-26-10-27-17)7-21-16(23)8-22-18(24)14-3-1-2-4-15(14)19(22)25/h1-6H,7-10H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.8563 kcal/mol

Physical Properties
Molecular Weight: 370.336 g/mol	logS: -4.1911	SlogP: 2.1374	Reactive groups: 0

Topological Properties
Globularity: 0.0300538	Sterimol/B1: 2.63289	Sterimol/B2: 3.89315	Sterimol/B3: 3.99623
Sterimol/B4: 5.98522	Sterimol/L: 17.9359

Surface and Volume Properties
Accessible surface: 609.794	Positive charged surface: 362.592	Negative charged surface: 247.202	Volume: 317.125
Hydrophobic surface: 427.746	Hydrophilic surface: 182.048

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.