MMsINC Database Search


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MMsINC code: MMs01445555

Type: Neutral
Formula: C₁₈H₁₈FNO₃

SMILES:

Fc1cc(NC(=O)COC(=O)c2cc(C)c(cc2)C)ccc1C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.3968 kcal/mol

Physical Properties
Molecular Weight: 315.344 g/mol	logS: -5.16633	SlogP: 3.54646	Reactive groups: 0

Topological Properties
Globularity: 0.0117603	Sterimol/B1: 2.45561	Sterimol/B2: 2.53326	Sterimol/B3: 2.99966
Sterimol/B4: 6.25405	Sterimol/L: 18.9064

Surface and Volume Properties
Accessible surface: 588.641	Positive charged surface: 341.963	Negative charged surface: 246.679	Volume: 302
Hydrophobic surface: 504.369	Hydrophilic surface: 84.272

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.