MMsINC Database Search


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MMsINC code: MMs01085898

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1cc(NC(=O)Nc2ccc(cc2)C(OC)=O)ccc1

InChI:

InChI=1/C15H13ClN2O3/c1-21-14(19)10-5-7-12(8-6-10)17-15(20)18-13-4-2-3-11(16)9-13/h2-9H,1H3,(H2,17,18,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.2094 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -4.36807	SlogP: 3.7706	Reactive groups: 0

Topological Properties
Globularity: 0.0305086	Sterimol/B1: 2.85269	Sterimol/B2: 3.35586	Sterimol/B3: 3.5485
Sterimol/B4: 4.63279	Sterimol/L: 18.9641

Surface and Volume Properties
Accessible surface: 540.963	Positive charged surface: 305.794	Negative charged surface: 235.17	Volume: 273.25
Hydrophobic surface: 438.553	Hydrophilic surface: 102.41

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