MMsINC Database Search


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MMsINC code: MMs02674687

Type: Neutral
Formula: C₁₆H₁₆Cl₂N₂O

SMILES:

Clc1ccc(Cl)cc1NC(=O)N(CC)c1ccc(cc1)C

InChI:

InChI=1/C16H16Cl2N2O/c1-3-20(13-7-4-11(2)5-8-13)16(21)19-15-10-12(17)6-9-14(15)18/h4-10H,3H2,1-2H3,(H,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.3438 kcal/mol

Physical Properties
Molecular Weight: 323.223 g/mol	logS: -5.41577	SlogP: 5.36022	Reactive groups: 0

Topological Properties
Globularity: 0.0753928	Sterimol/B1: 1.99998	Sterimol/B2: 2.57099	Sterimol/B3: 4.81644
Sterimol/B4: 8.66666	Sterimol/L: 15.4882

Surface and Volume Properties
Accessible surface: 552.511	Positive charged surface: 265.776	Negative charged surface: 286.735	Volume: 295.25
Hydrophobic surface: 510.742	Hydrophilic surface: 41.769

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.