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MMsINC code: MMs00478740

Type: Neutral
Formula: C₁₄H₁₄Cl₂N₂O₃

SMILES:

Clc1c2c(NC(=O)C=C2OC(=O)N(CC)CC)c(Cl)cc1

InChI:

InChI=1/C14H14Cl2N2O3/c1-3-18(4-2)14(20)21-10-7-11(19)17-13-9(16)6-5-8(15)12(10)13/h5-7H,3-4H2,1-2H3,(H,17,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=60.7358 kcal/mol

Physical Properties
Molecular Weight: 329.183 g/mol	logS: -4.45561	SlogP: 3.7648	Reactive groups: 0

Topological Properties
Globularity: 0.147079	Sterimol/B1: 2.47794	Sterimol/B2: 3.22737	Sterimol/B3: 5.62445
Sterimol/B4: 7.00508	Sterimol/L: 13.9003

Surface and Volume Properties
Accessible surface: 510.032	Positive charged surface: 274.119	Negative charged surface: 235.913	Volume: 275.5
Hydrophobic surface: 383.426	Hydrophilic surface: 126.606

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.