MMsINC Database Search


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MMsINC code: MMs02893536

Type: Neutral
Formula: C₁₁H₁₄Cl₂N₂O₃

SMILES:

ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO

InChI:

InChI=1/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.242 kcal/mol

Physical Properties
Molecular Weight: 293.15 g/mol	logS: -2.2581	SlogP: 1.0984	Reactive groups: 0

Topological Properties
Globularity: 0.172019	Sterimol/B1: 2.60417	Sterimol/B2: 2.80829	Sterimol/B3: 4.20087
Sterimol/B4: 7.84261	Sterimol/L: 12.0872

Surface and Volume Properties
Accessible surface: 469.873	Positive charged surface: 253.751	Negative charged surface: 216.122	Volume: 248.25
Hydrophobic surface: 195.648	Hydrophilic surface: 274.225

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.