MMsINC Database Search


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MMsINC code: MMs00211832

Type: Neutral
Formula: C₂₄H₂₃FN₂O₄

SMILES:

Fc1ccc(cc1)CNC(=O)CN(C(=O)c1cc(OC)c(OC)cc1)c1ccccc1

InChI:

InChI=1/C24H23FN2O4/c1-30-21-13-10-18(14-22(21)31-2)24(29)27(20-6-4-3-5-7-20)16-23(28)26-15-17-8-11-19(25)12-9-17/h3-14H,15-16H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=210.591 kcal/mol

Physical Properties
Molecular Weight: 422.456 g/mol	logS: -5.58509	SlogP: 4.0725	Reactive groups: 0

Topological Properties
Globularity: 0.0421744	Sterimol/B1: 2.56584	Sterimol/B2: 2.81115	Sterimol/B3: 3.72636
Sterimol/B4: 13.632	Sterimol/L: 17.4204

Surface and Volume Properties
Accessible surface: 702.038	Positive charged surface: 442.431	Negative charged surface: 259.607	Volume: 394.75
Hydrophobic surface: 618.049	Hydrophilic surface: 83.989

Pharmacophoric Properties
Hydrogen bond donors: 1	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.