MMsINC Database Search


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MMsINC code: MMs01298262

Type: Neutral
Formula: C₁₅H₁₅Cl₂N₃O

SMILES:

Clc1cc(NC(=O)Nc2cc(N(C)C)ccc2)ccc1Cl

InChI:

InChI=1/C15H15Cl2N3O/c1-20(2)12-5-3-4-10(8-12)18-15(21)19-11-6-7-13(16)14(17)9-11/h3-9H,1-2H3,(H2,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.7179 kcal/mol

Physical Properties
Molecular Weight: 324.211 g/mol	logS: -4.64804	SlogP: 4.7034	Reactive groups: 0

Topological Properties
Globularity: 0.0373035	Sterimol/B1: 3.35181	Sterimol/B2: 3.81078	Sterimol/B3: 4.03085
Sterimol/B4: 4.33241	Sterimol/L: 17.9191

Surface and Volume Properties
Accessible surface: 557.851	Positive charged surface: 316.903	Negative charged surface: 240.948	Volume: 287.125
Hydrophobic surface: 496.005	Hydrophilic surface: 61.846

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