MMsINC Database Search


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MMsINC code: MMs01483014

Type: Neutral
Formula: C₁₅H₁₁ClFNO₄

SMILES:

Clc1cc(F)ccc1NC(=O)COC(=O)c1cc(O)ccc1

InChI:

InChI=1/C15H11ClFNO4/c16-12-7-10(17)4-5-13(12)18-14(20)8-22-15(21)9-2-1-3-11(19)6-9/h1-7,19H,8H2,(H,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2226 kcal/mol

Physical Properties
Molecular Weight: 323.707 g/mol	logS: -4.43036	SlogP: 2.9802	Reactive groups: 0

Topological Properties
Globularity: 0.0126793	Sterimol/B1: 2.55515	Sterimol/B2: 2.6583	Sterimol/B3: 3.04813
Sterimol/B4: 6.5315	Sterimol/L: 17.5694

Surface and Volume Properties
Accessible surface: 546.934	Positive charged surface: 265.138	Negative charged surface: 281.796	Volume: 269.875
Hydrophobic surface: 418.721	Hydrophilic surface: 128.213

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.