MMsINC Database Search


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MMsINC code: MMs00266564

Type: Neutral
Formula: C₂₁H₂₀F₂N₂O₃

SMILES:

Fc1cc(NC(=O)C=2C(=O)N(c3c(cccc3)C=2O)CCCCC)ccc1F

InChI:

InChI=1/C21H20F2N2O3/c1-2-3-6-11-25-17-8-5-4-7-14(17)19(26)18(21(25)28)20(27)24-13-9-10-15(22)16(23)12-13/h4-5,7-10,12,26H,2-3,6,11H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.5778 kcal/mol

Physical Properties
Molecular Weight: 386.398 g/mol	logS: -5.93868	SlogP: 4.4094	Reactive groups: 0

Topological Properties
Globularity: 0.0258011	Sterimol/B1: 2.63533	Sterimol/B2: 2.7651	Sterimol/B3: 3.61285
Sterimol/B4: 9.78896	Sterimol/L: 18.3942

Surface and Volume Properties
Accessible surface: 638.887	Positive charged surface: 371.535	Negative charged surface: 267.352	Volume: 349.625
Hydrophobic surface: 528.442	Hydrophilic surface: 110.445

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.