MMsINC Database Search


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MMsINC code: MMs01234003

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₃

SMILES:

Fc1cc(F)ccc1NC(=O)CCCN1C(=O)c2c(cccc2)C1=O

InChI:

InChI=1/C18H14F2N2O3/c19-11-7-8-15(14(20)10-11)21-16(23)6-3-9-22-17(24)12-4-1-2-5-13(12)18(22)25/h1-2,4-5,7-8,10H,3,6,9H2,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.0856 kcal/mol

Physical Properties
Molecular Weight: 344.317 g/mol	logS: -4.60481	SlogP: 2.9797	Reactive groups: 0

Topological Properties
Globularity: 0.0522774	Sterimol/B1: 3.09508	Sterimol/B2: 3.46093	Sterimol/B3: 5.12606
Sterimol/B4: 5.13286	Sterimol/L: 18.1666

Surface and Volume Properties
Accessible surface: 582.766	Positive charged surface: 309.502	Negative charged surface: 273.264	Volume: 299
Hydrophobic surface: 466.106	Hydrophilic surface: 116.66

Pharmacophoric Properties
Hydrogen bond donors: 1	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.