MMsINC Database Search


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MMsINC code: MMs02363310

Type: Neutral
Formula: C₁₇H₁₄ClFN₂O₅

SMILES:

Clc1cc(NC(=O)Nc2cc(cc(c2)C(OC)=O)C(OC)=O)ccc1F

InChI:

InChI=1/C17H14ClFN2O5/c1-25-15(22)9-5-10(16(23)26-2)7-12(6-9)21-17(24)20-11-3-4-14(19)13(18)8-11/h3-8H,1-2H3,(H2,20,21,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.2329 kcal/mol

Physical Properties
Molecular Weight: 380.759 g/mol	logS: -5.04478	SlogP: 3.6963	Reactive groups: 0

Topological Properties
Globularity: 0.0463975	Sterimol/B1: 1.969	Sterimol/B2: 3.12395	Sterimol/B3: 4.30896
Sterimol/B4: 9.48778	Sterimol/L: 18.808

Surface and Volume Properties
Accessible surface: 623.599	Positive charged surface: 373.915	Negative charged surface: 249.684	Volume: 320.25
Hydrophobic surface: 484.433	Hydrophilic surface: 139.166

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.