MMsINC Database Search


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MMsINC code: MMs01421255

Type: Neutral
Formula: C₁₇H₁₅ClFNO₄

SMILES:

Clc1cc(NC(=O)COC(=O)c2ccc(OCC)cc2)ccc1F

InChI:

InChI=1/C17H15ClFNO4/c1-2-23-13-6-3-11(4-7-13)17(22)24-10-16(21)20-12-5-8-15(19)14(18)9-12/h3-9H,2,10H2,1H3,(H,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.1339 kcal/mol

Physical Properties
Molecular Weight: 351.761 g/mol	logS: -5.1699	SlogP: 3.6733	Reactive groups: 0

Topological Properties
Globularity: 0.012313	Sterimol/B1: 2.80899	Sterimol/B2: 2.94743	Sterimol/B3: 3.32653
Sterimol/B4: 6.81369	Sterimol/L: 20.2064

Surface and Volume Properties
Accessible surface: 613.999	Positive charged surface: 329.429	Negative charged surface: 284.57	Volume: 307.375
Hydrophobic surface: 500.388	Hydrophilic surface: 113.611

Pharmacophoric Properties
Hydrogen bond donors: 1	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.