MMsINC Database Search


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MMsINC code: MMs01305139

Type: Neutral
Formula: C₂₃H₁₇FN₂O₄

SMILES:

Fc1cc(N(C(=O)c2ccccc2OC)CN2C(=O)c3c(cccc3)C2=O)ccc1

InChI:

InChI=1/C23H17FN2O4/c1-30-20-12-5-4-11-19(20)23(29)25(16-8-6-7-15(24)13-16)14-26-21(27)17-9-2-3-10-18(17)22(26)28/h2-13H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=173.298 kcal/mol

Physical Properties
Molecular Weight: 404.397 g/mol	logS: -5.64393	SlogP: 3.7348	Reactive groups: 0

Topological Properties
Globularity: 0.0861335	Sterimol/B1: 4.10164	Sterimol/B2: 4.2807	Sterimol/B3: 5.40174
Sterimol/B4: 6.46813	Sterimol/L: 16.3617

Surface and Volume Properties
Accessible surface: 615.533	Positive charged surface: 341.126	Negative charged surface: 274.406	Volume: 359.25
Hydrophobic surface: 530.352	Hydrophilic surface: 85.181

Pharmacophoric Properties
Hydrogen bond donors: 0	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.