MMsINC Database Search


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MMsINC code: MMs01310274

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1ccc(NC(=O)COC(=O)C(CC)c2ccccc2)cc1

InChI:

InChI=1/C18H18FNO3/c1-2-16(13-6-4-3-5-7-13)18(22)23-12-17(21)20-15-10-8-14(19)9-11-15/h3-11,16H,2,12H2,1H3,(H,20,21)/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.6917 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -4.83648	SlogP: 3.5012	Reactive groups: 0

Topological Properties
Globularity: 0.0414044	Sterimol/B1: 2.37365	Sterimol/B2: 3.44694	Sterimol/B3: 3.97117
Sterimol/B4: 6.6608	Sterimol/L: 18.6729

Surface and Volume Properties
Accessible surface: 575.485	Positive charged surface: 336.898	Negative charged surface: 238.588	Volume: 300
Hydrophobic surface: 491.623	Hydrophilic surface: 83.862

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.