MMsINC Database Search


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MMsINC code: MMs02811975

Type: Neutral
Formula: C₁₆H₁₃Cl₄NO₂

SMILES:

Clc1ccccc1OC(NC(=O)c1cc(ccc1)C)C(Cl)(Cl)Cl

InChI:

InChI=1/C16H13Cl4NO2/c1-10-5-4-6-11(9-10)14(22)21-15(16(18,19)20)23-13-8-3-2-7-12(13)17/h2-9,15H,1H3,(H,21,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.4229 kcal/mol

Physical Properties
Molecular Weight: 393.097 g/mol	logS: -6.87243	SlogP: 5.57342	Reactive groups: 0

Topological Properties
Globularity: 0.0931875	Sterimol/B1: 2.40693	Sterimol/B2: 4.19927	Sterimol/B3: 5.57692
Sterimol/B4: 7.76715	Sterimol/L: 15.3268

Surface and Volume Properties
Accessible surface: 591.497	Positive charged surface: 210.64	Negative charged surface: 380.857	Volume: 321.75
Hydrophobic surface: 415.789	Hydrophilic surface: 175.708

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.