MMsINC Database Search


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MMsINC code: MMs01639193

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₄

SMILES:

Fc1ccc(F)cc1C1(NC(=O)N(Cc2cc3OCOc3cc2)C1=O)C

InChI:

InChI=1/C18H14F2N2O4/c1-18(12-7-11(19)3-4-13(12)20)16(23)22(17(24)21-18)8-10-2-5-14-15(6-10)26-9-25-14/h2-7H,8-9H2,1H3,(H,21,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5443 kcal/mol

Physical Properties
Molecular Weight: 360.316 g/mol	logS: -4.44256	SlogP: 3.2386	Reactive groups: 0

Topological Properties
Globularity: 0.0828177	Sterimol/B1: 2.25452	Sterimol/B2: 3.31021	Sterimol/B3: 5.57119
Sterimol/B4: 5.83181	Sterimol/L: 16.3832

Surface and Volume Properties
Accessible surface: 546.067	Positive charged surface: 308.345	Negative charged surface: 237.722	Volume: 301.875
Hydrophobic surface: 395.196	Hydrophilic surface: 150.871

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.