MMsINC Database Search


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MMsINC code: MMs00833116

Type: Neutral
Formula: C₁₅H₁₁ClF₂N₂O₃

SMILES:

Clc1ccc(cc1)C(=O)NC(=O)Nc1ccccc1OC(F)F

InChI:

InChI=1/C15H11ClF2N2O3/c16-10-7-5-9(6-8-10)13(21)20-15(22)19-11-3-1-2-4-12(11)23-14(17)18/h1-8,14H,(H2,19,20,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4961 kcal/mol

Physical Properties
Molecular Weight: 340.713 g/mol	logS: -4.45194	SlogP: 4.3232	Reactive groups: 0

Topological Properties
Globularity: 0.0130279	Sterimol/B1: 2.13369	Sterimol/B2: 2.54421	Sterimol/B3: 3.42855
Sterimol/B4: 7.36447	Sterimol/L: 17.2611

Surface and Volume Properties
Accessible surface: 541.727	Positive charged surface: 246.168	Negative charged surface: 295.559	Volume: 275.5
Hydrophobic surface: 373.281	Hydrophilic surface: 168.446

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.