MMsINC Database Search


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MMsINC code: MMs01549055

Type: Neutral
Formula: C₁₇H₁₅Cl₂NO₄

SMILES:

Clc1cc(C(OC(C(=O)Nc2ccc(Cl)cc2)C)=O)c(OC)cc1

InChI:

InChI=1/C17H15Cl2NO4/c1-10(16(21)20-13-6-3-11(18)4-7-13)24-17(22)14-9-12(19)5-8-15(14)23-2/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)=92.7854 kcal/mol

Physical Properties
Molecular Weight: 368.216 g/mol	logS: -5.60921	SlogP: 4.186	Reactive groups: 0

Topological Properties
Globularity: 0.0557924	Sterimol/B1: 2.19481	Sterimol/B2: 2.882	Sterimol/B3: 5.47171
Sterimol/B4: 7.88284	Sterimol/L: 17.8659

Surface and Volume Properties
Accessible surface: 619.572	Positive charged surface: 313.464	Negative charged surface: 306.108	Volume: 319
Hydrophobic surface: 531.659	Hydrophilic surface: 87.913

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.