MMsINC Database Search


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MMsINC code: MMs01470169

Type: Neutral
Formula: C₂₃H₁₈FNO₄

SMILES:

Fc1ccccc1NC(=O)C(OC(=O)c1ccc(cc1)C(=O)c1ccccc1)C

InChI:

InChI=1/C23H18FNO4/c1-15(22(27)25-20-10-6-5-9-19(20)24)29-23(28)18-13-11-17(12-14-18)21(26)16-7-3-2-4-8-16/h2-15H,1H3,(H,25,27)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.97 kcal/mol

Physical Properties
Molecular Weight: 391.398 g/mol	logS: -6.45804	SlogP: 4.2407	Reactive groups: 0

Topological Properties
Globularity: 0.043351	Sterimol/B1: 2.15207	Sterimol/B2: 3.29889	Sterimol/B3: 5.31843
Sterimol/B4: 7.36754	Sterimol/L: 19.8698

Surface and Volume Properties
Accessible surface: 667.046	Positive charged surface: 346.341	Negative charged surface: 320.705	Volume: 361.5
Hydrophobic surface: 547.101	Hydrophilic surface: 119.945

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.