MMsINC Database Search


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MMsINC code: MMs02567615

Type: Neutral
Formula: C₁₇H₁₅ClFNO₄

SMILES:

Clc1cc(NC(=O)C(OC(=O)c2ccccc2F)C)ccc1OC

InChI:

InChI=1/C17H15ClFNO4/c1-10(24-17(22)12-5-3-4-6-14(12)19)16(21)20-11-7-8-15(23-2)13(18)9-11/h3-10H,1-2H3,(H,20,21)/t10-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.9486 kcal/mol

Physical Properties
Molecular Weight: 351.761 g/mol	logS: -5.1699	SlogP: 3.6717	Reactive groups: 0

Topological Properties
Globularity: 0.0426552	Sterimol/B1: 2.24169	Sterimol/B2: 2.33793	Sterimol/B3: 5.73289
Sterimol/B4: 7.11543	Sterimol/L: 18.0999

Surface and Volume Properties
Accessible surface: 597.007	Positive charged surface: 324.862	Negative charged surface: 272.145	Volume: 305.5
Hydrophobic surface: 505.643	Hydrophilic surface: 91.364

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.