MMsINC Database Search


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MMsINC code: MMs02162160

Type: Neutral
Formula: C₁₄H₁₁Cl₂N₃O₂

SMILES:

Clc1cc(Cl)ccc1NC(=O)C(=O)NCc1cccnc1

InChI:

InChI=1/C14H11Cl2N3O2/c15-10-3-4-12(11(16)6-10)19-14(21)13(20)18-8-9-2-1-5-17-7-9/h1-7H,8H2,(H,18,20)(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.4919 kcal/mol

Physical Properties
Molecular Weight: 324.167 g/mol	logS: -3.73788	SlogP: 2.9097	Reactive groups: 0

Topological Properties
Globularity: 0.0465619	Sterimol/B1: 2.45908	Sterimol/B2: 3.56399	Sterimol/B3: 4.96026
Sterimol/B4: 5.38432	Sterimol/L: 17.5721

Surface and Volume Properties
Accessible surface: 543.977	Positive charged surface: 269.594	Negative charged surface: 274.383	Volume: 273.625
Hydrophobic surface: 433.012	Hydrophilic surface: 110.965

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.