MMsINC Database Search


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MMsINC code: MMs00387622

Type: Neutral
Formula: C₂₁H₁₉FN₂O₅

SMILES:

Fc1ccccc1C(=O)N(CC1=Cc2c(NC1=O)cc1OCOc1c2)CCOC

InChI:

InChI=1/C21H19FN2O5/c1-27-7-6-24(21(26)15-4-2-3-5-16(15)22)11-14-8-13-9-18-19(29-12-28-18)10-17(13)23-20(14)25/h2-5,8-10H,6-7,11-12H2,1H3,(H,23,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.7003 kcal/mol

Physical Properties
Molecular Weight: 398.39 g/mol	logS: -4.45198	SlogP: 2.6787	Reactive groups: 0

Topological Properties
Globularity: 0.0649435	Sterimol/B1: 3.64083	Sterimol/B2: 4.082	Sterimol/B3: 4.44929
Sterimol/B4: 6.92202	Sterimol/L: 17.5819

Surface and Volume Properties
Accessible surface: 605.378	Positive charged surface: 412.022	Negative charged surface: 193.356	Volume: 351.75
Hydrophobic surface: 463.098	Hydrophilic surface: 142.28

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.