MMsINC Database Search


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MMsINC code: MMs00524012

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O₂

SMILES:

Clc1cc(NC(=O)NCc2ccccc2OCC)ccc1Cl

InChI:

InChI=1/C16H16Cl2N2O2/c1-2-22-15-6-4-3-5-11(15)10-19-16(21)20-12-7-8-13(17)14(18)9-12/h3-9H,2,10H2,1H3,(H2,19,20,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=43.3953 kcal/mol

Physical Properties
Molecular Weight: 339.222 g/mol	logS: -5.04226	SlogP: 4.9802	Reactive groups: 0

Topological Properties
Globularity: 0.0673307	Sterimol/B1: 2.26338	Sterimol/B2: 3.54668	Sterimol/B3: 3.90321
Sterimol/B4: 8.76644	Sterimol/L: 17.2473

Surface and Volume Properties
Accessible surface: 597.94	Positive charged surface: 313.193	Negative charged surface: 284.747	Volume: 304.5
Hydrophobic surface: 507.745	Hydrophilic surface: 90.195

Pharmacophoric Properties
Hydrogen bond donors: 2	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.