MMsINC Database Search


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MMsINC code: MMs01470513

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2ccc(cc2)CC)ccc1C

InChI:

InChI=1/C18H18FNO3/c1-3-13-5-7-14(8-6-13)18(22)23-11-17(21)20-15-9-4-12(2)16(19)10-15/h4-10H,3,11H2,1-2H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.3268 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -5.20763	SlogP: 3.49199	Reactive groups: 0

Topological Properties
Globularity: 0.0151622	Sterimol/B1: 2.12162	Sterimol/B2: 2.73876	Sterimol/B3: 3.4789
Sterimol/B4: 6.29432	Sterimol/L: 19.355

Surface and Volume Properties
Accessible surface: 596.392	Positive charged surface: 352.528	Negative charged surface: 243.864	Volume: 302.5
Hydrophobic surface: 487.095	Hydrophilic surface: 109.297

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.