MMsINC Database Search


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MMsINC code: MMs01639103

Type: Neutral
Formula: C₁₈H₁₆F₂N₂O₂

SMILES:

Fc1ccc(F)cc1C1(NC(=O)N(Cc2ccc(cc2)C)C1=O)C

InChI:

InChI=1/C18H16F2N2O2/c1-11-3-5-12(6-4-11)10-22-16(23)18(2,21-17(22)24)14-9-13(19)7-8-15(14)20/h3-9H,10H2,1-2H3,(H,21,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.2519 kcal/mol

Physical Properties
Molecular Weight: 330.334 g/mol	logS: -4.96138	SlogP: 3.81832	Reactive groups: 0

Topological Properties
Globularity: 0.08874	Sterimol/B1: 3.26286	Sterimol/B2: 3.55879	Sterimol/B3: 4.64303
Sterimol/B4: 5.26287	Sterimol/L: 16.6347

Surface and Volume Properties
Accessible surface: 541.763	Positive charged surface: 291.69	Negative charged surface: 250.073	Volume: 296.25
Hydrophobic surface: 445.767	Hydrophilic surface: 95.996

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.