MMsINC Database Search


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MMsINC code: MMs00497038

Type: Neutral
Formula: C₁₅H₁₆Cl₂N₂O₃

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1C(=O)NC(COC)C

InChI:

InChI=1/C15H16Cl2N2O3/c1-8(7-21-3)18-15(20)12-9(2)22-19-14(12)13-10(16)5-4-6-11(13)17/h4-6,8H,7H2,1-3H3,(H,18,20)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=68.6464 kcal/mol

Physical Properties
Molecular Weight: 343.21 g/mol	logS: -4.82436	SlogP: 3.72152	Reactive groups: 0

Topological Properties
Globularity: 0.233909	Sterimol/B1: 2.4833	Sterimol/B2: 4.26285	Sterimol/B3: 5.09677
Sterimol/B4: 9.06387	Sterimol/L: 11.7783

Surface and Volume Properties
Accessible surface: 557.794	Positive charged surface: 306.851	Negative charged surface: 250.943	Volume: 299.875
Hydrophobic surface: 498.332	Hydrophilic surface: 59.462

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.