MMsINC Database Search


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MMsINC code: MMs02876284

Type: Neutral
Formula: C₁₄H₁₂Cl₂N₄O₂

SMILES:

Clc1ccccc1NC(=O)NNC(=O)Nc1ccccc1Cl

InChI:

InChI=1/C14H12Cl2N4O2/c15-9-5-1-3-7-11(9)17-13(21)19-20-14(22)18-12-8-4-2-6-10(12)16/h1-8H,(H2,17,19,21)(H2,18,20,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.2913 kcal/mol

Physical Properties
Molecular Weight: 339.182 g/mol	logS: -4.84634	SlogP: 3.8516	Reactive groups: 0

Topological Properties
Globularity: 0.00563606	Sterimol/B1: 2.16717	Sterimol/B2: 2.85116	Sterimol/B3: 3.57189
Sterimol/B4: 6.19361	Sterimol/L: 18.2132

Surface and Volume Properties
Accessible surface: 552.406	Positive charged surface: 237.454	Negative charged surface: 314.952	Volume: 281.75
Hydrophobic surface: 434.45	Hydrophilic surface: 117.956

Pharmacophoric Properties
Hydrogen bond donors: 4	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.