MMsINC Database Search


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MMsINC code: MMs00608145

Type: Neutral
Formula: C₁₆H₁₅Cl₂NO₂

SMILES:

Clc1ccc(Cl)cc1NC(=O)COc1cc(C)c(cc1)C

InChI:

InChI=1/C16H15Cl2NO2/c1-10-3-5-13(7-11(10)2)21-9-16(20)19-15-8-12(17)4-6-14(15)18/h3-8H,9H2,1-2H3,(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.3879 kcal/mol

Physical Properties
Molecular Weight: 324.207 g/mol	logS: -5.84811	SlogP: 4.62774	Reactive groups: 0

Topological Properties
Globularity: 0.0143778	Sterimol/B1: 2.77709	Sterimol/B2: 3.0145	Sterimol/B3: 3.93965
Sterimol/B4: 6.00341	Sterimol/L: 17.2621

Surface and Volume Properties
Accessible surface: 576.041	Positive charged surface: 269.037	Negative charged surface: 307.004	Volume: 292.375
Hydrophobic surface: 526.471	Hydrophilic surface: 49.57

Pharmacophoric Properties
Hydrogen bond donors: 1	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.