MMsINC Database Search


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MMsINC code: MMs01639090

Type: Neutral
Formula: C₁₈H₁₄F₂N₂O₃

SMILES:

Fc1ccc(F)cc1C1(NC(=O)N(CC(=O)c2ccccc2)C1=O)C

InChI:

InChI=1/C18H14F2N2O3/c1-18(13-9-12(19)7-8-14(13)20)16(24)22(17(25)21-18)10-15(23)11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,21,25)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.331 kcal/mol

Physical Properties
Molecular Weight: 344.317 g/mol	logS: -4.81881	SlogP: 2.9262	Reactive groups: 0

Topological Properties
Globularity: 0.0978913	Sterimol/B1: 2.42744	Sterimol/B2: 3.35405	Sterimol/B3: 4.80528
Sterimol/B4: 7.26763	Sterimol/L: 15.138

Surface and Volume Properties
Accessible surface: 554.82	Positive charged surface: 279.054	Negative charged surface: 275.766	Volume: 297.125
Hydrophobic surface: 427.726	Hydrophilic surface: 127.094

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.