MMsINC Database Search


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MMsINC code: MMs01470509

Type: Neutral
Formula: C₁₇H₁₅F₂NO₃

SMILES:

Fc1ccc(F)cc1NC(=O)COC(=O)c1ccc(cc1)CC

InChI:

InChI=1/C17H15F2NO3/c1-2-11-3-5-12(6-4-11)17(22)23-10-16(21)20-15-9-13(18)7-8-14(15)19/h3-9H,2,10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.1109 kcal/mol

Physical Properties
Molecular Weight: 319.307 g/mol	logS: -5.34214	SlogP: 3.32267	Reactive groups: 0

Topological Properties
Globularity: 0.0163552	Sterimol/B1: 2.15381	Sterimol/B2: 3.4553	Sterimol/B3: 3.49926
Sterimol/B4: 5.94299	Sterimol/L: 18.6395

Surface and Volume Properties
Accessible surface: 566.474	Positive charged surface: 311.624	Negative charged surface: 254.85	Volume: 285.625
Hydrophobic surface: 461.376	Hydrophilic surface: 105.098

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