MMsINC Database Search


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

MMsINC code: MMs01264238

Type: Neutral
Formula: C₁₇H₁₄Cl₂N₂O₂

SMILES:

Clc1ccccc1CN1C(=O)C(NC1=O)(C)c1ccc(Cl)cc1

InChI:

InChI=1/C17H14Cl2N2O2/c1-17(12-6-8-13(18)9-7-12)15(22)21(16(23)20-17)10-11-4-2-3-5-14(11)19/h2-9H,10H2,1H3,(H,20,23)/t17-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=51.8535 kcal/mol

Physical Properties
Molecular Weight: 349.217 g/mol	logS: -5.36608	SlogP: 4.5385	Reactive groups: 0

Topological Properties
Globularity: 0.112516	Sterimol/B1: 2.0504	Sterimol/B2: 4.31769	Sterimol/B3: 4.63326
Sterimol/B4: 6.09774	Sterimol/L: 16.6454

Surface and Volume Properties
Accessible surface: 530.554	Positive charged surface: 246.88	Negative charged surface: 283.674	Volume: 303.375
Hydrophobic surface: 442.678	Hydrophilic surface: 87.876

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.