MMsINC Database Search


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MMsINC code: MMs02154535

Type: Neutral
Formula: C₂₀H₁₃Cl₂NO₃

SMILES:

Clc1ccc(cc1)C(=O)Nc1cc(OC(=O)c2ccc(Cl)cc2)ccc1

InChI:

InChI=1/C20H13Cl2NO3/c21-15-8-4-13(5-9-15)19(24)23-17-2-1-3-18(12-17)26-20(25)14-6-10-16(22)11-7-14/h1-12H,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.419 kcal/mol

Physical Properties
Molecular Weight: 386.234 g/mol	logS: -6.93751	SlogP: 5.4649	Reactive groups: 0

Topological Properties
Globularity: 0.0530452	Sterimol/B1: 2.56441	Sterimol/B2: 3.22646	Sterimol/B3: 4.22874
Sterimol/B4: 8.89133	Sterimol/L: 19.7424

Surface and Volume Properties
Accessible surface: 634.667	Positive charged surface: 265.877	Negative charged surface: 368.79	Volume: 334.75
Hydrophobic surface: 565.919	Hydrophilic surface: 68.748

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.