MMsINC Database Search


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MMsINC code: MMs02134120

Type: Neutral
Formula: C₁₃H₁₃Cl₂N₃O₂

SMILES:

Clc1cccc(Cl)c1-c1noc(C)c1NC(=O)N(C)C

InChI:

InChI=1/C13H13Cl2N3O2/c1-7-11(16-13(19)18(2)3)12(17-20-7)10-8(14)5-4-6-9(10)15/h4-6H,1-3H3,(H,16,19)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7593 kcal/mol

Physical Properties
Molecular Weight: 314.172 g/mol	logS: -4.1457	SlogP: 4.05032	Reactive groups: 0

Topological Properties
Globularity: 0.125886	Sterimol/B1: 3.24884	Sterimol/B2: 3.76055	Sterimol/B3: 4.30676
Sterimol/B4: 7.57679	Sterimol/L: 12.1102

Surface and Volume Properties
Accessible surface: 483.236	Positive charged surface: 272.166	Negative charged surface: 211.07	Volume: 264.25
Hydrophobic surface: 449.429	Hydrophilic surface: 33.807

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.