MMsINC Database Search


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MMsINC code: MMs02567721

Type: Neutral
Formula: C₁₇H₁₅Cl₂NO₄

SMILES:

Clc1ccc(NC(=O)C(OC(=O)COc2ccc(Cl)cc2)C)cc1

InChI:

InChI=1/C17H15Cl2NO4/c1-11(17(22)20-14-6-2-12(18)3-7-14)24-16(21)10-23-15-8-4-13(19)5-9-15/h2-9,11H,10H2,1H3,(H,20,22)/t11-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.9559 kcal/mol

Physical Properties
Molecular Weight: 368.216 g/mol	logS: -5.63565	SlogP: 3.9426	Reactive groups: 1

Topological Properties
Globularity: 0.0226835	Sterimol/B1: 2.13037	Sterimol/B2: 2.48587	Sterimol/B3: 4.03495
Sterimol/B4: 7.06535	Sterimol/L: 21.3081

Surface and Volume Properties
Accessible surface: 629.08	Positive charged surface: 289.915	Negative charged surface: 339.164	Volume: 316.75
Hydrophobic surface: 525.924	Hydrophilic surface: 103.156

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.