MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs03607453

Type: Neutral
Formula: C₁₈H₁₆Cl₂N₂O₃

SMILES:

Clc1ccccc1OCCN1C(=O)C(NC1=O)(C)c1ccc(Cl)cc1

InChI:

InChI=1/C18H16Cl2N2O3/c1-18(12-6-8-13(19)9-7-12)16(23)22(17(24)21-18)10-11-25-15-5-3-2-4-14(15)20/h2-9H,10-11H2,1H3,(H,21,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.335 kcal/mol

Physical Properties
Molecular Weight: 379.243 g/mol	logS: -5.4429	SlogP: 4.1509	Reactive groups: 0

Topological Properties
Globularity: 0.0790716	Sterimol/B1: 2.19527	Sterimol/B2: 3.68931	Sterimol/B3: 4.90026
Sterimol/B4: 5.90634	Sterimol/L: 18.5133

Surface and Volume Properties
Accessible surface: 593.028	Positive charged surface: 282.552	Negative charged surface: 310.475	Volume: 329.875
Hydrophobic surface: 511.396	Hydrophilic surface: 81.632

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.