MMsINC Database Search


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MMsINC code: MMs00584355

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₂

SMILES:

Clc1cc(Cl)ccc1CNC(=O)C(OC)c1ccccc1

InChI:

InChI=1/C16H15Cl2NO2/c1-21-15(11-5-3-2-4-6-11)16(20)19-10-12-7-8-13(17)9-14(12)18/h2-9,15H,10H2,1H3,(H,19,20)/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.059 kcal/mol

Physical Properties
Molecular Weight: 324.207 g/mol	logS: -4.91013	SlogP: 4.3592	Reactive groups: 0

Topological Properties
Globularity: 0.139475	Sterimol/B1: 2.11293	Sterimol/B2: 3.24436	Sterimol/B3: 4.00342
Sterimol/B4: 8.74429	Sterimol/L: 14.3228

Surface and Volume Properties
Accessible surface: 563.448	Positive charged surface: 284.916	Negative charged surface: 278.532	Volume: 294.125
Hydrophobic surface: 529.947	Hydrophilic surface: 33.501

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.