MMsINC Database Search


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MMsINC code: MMs01430063

Type: Neutral
Formula: C₁₈H₁₆F₂N₂O₂

SMILES:

Fc1ccc(cc1)C1(NC(=O)N(Cc2ccc(F)cc2)C1=O)CC

InChI:

InChI=1/C18H16F2N2O2/c1-2-18(13-5-9-15(20)10-6-13)16(23)22(17(24)21-18)11-12-3-7-14(19)8-4-12/h3-10H,2,11H2,1H3,(H,21,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.9278 kcal/mol

Physical Properties
Molecular Weight: 330.334 g/mol	logS: -4.68923	SlogP: 3.9	Reactive groups: 0

Topological Properties
Globularity: 0.187294	Sterimol/B1: 2.05305	Sterimol/B2: 3.68678	Sterimol/B3: 4.05918
Sterimol/B4: 9.29267	Sterimol/L: 12.3112

Surface and Volume Properties
Accessible surface: 531.32	Positive charged surface: 276.499	Negative charged surface: 254.821	Volume: 294.125
Hydrophobic surface: 435.965	Hydrophilic surface: 95.355

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.