MMsINC Database Search


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MMsINC code: MMs02087826

Type: Neutral
Formula: C₁₈H₁₈F₂N₂O₄

SMILES:

FC(F)Oc1ccc(NC(=O)CC(NCc2ccccc2)C(O)=O)cc1

InChI:

InChI=1/C18H18F2N2O4/c19-18(20)26-14-8-6-13(7-9-14)22-16(23)10-15(17(24)25)21-11-12-4-2-1-3-5-12/h1-9,15,18,21H,10-11H2,(H,22,23)(H,24,25)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.812 kcal/mol

Physical Properties
Molecular Weight: 364.348 g/mol	logS: -3.13382	SlogP: 3.5459	Reactive groups: 0

Topological Properties
Globularity: 0.0860133	Sterimol/B1: 2.40704	Sterimol/B2: 3.52242	Sterimol/B3: 4.24567
Sterimol/B4: 9.90712	Sterimol/L: 16.275

Surface and Volume Properties
Accessible surface: 604.966	Positive charged surface: 344.937	Negative charged surface: 260.029	Volume: 322.625
Hydrophobic surface: 394.017	Hydrophilic surface: 210.949

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 5	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.