MMsINC Database Search


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MMsINC code: MMs00185815

Type: Neutral
Formula: C₁₆H₁₃Cl₄NO₂

SMILES:

Clc1ccccc1OC(NC(=O)Cc1ccccc1)C(Cl)(Cl)Cl

InChI:

InChI=1/C16H13Cl4NO2/c17-12-8-4-5-9-13(12)23-15(16(18,19)20)21-14(22)10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,21,22)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.82 kcal/mol

Physical Properties
Molecular Weight: 393.097 g/mol	logS: -6.45998	SlogP: 5.19387	Reactive groups: 0

Topological Properties
Globularity: 0.121694	Sterimol/B1: 2.75161	Sterimol/B2: 3.50489	Sterimol/B3: 5.52558
Sterimol/B4: 7.48697	Sterimol/L: 14.1989

Surface and Volume Properties
Accessible surface: 591.244	Positive charged surface: 228.293	Negative charged surface: 362.951	Volume: 321.75
Hydrophobic surface: 416.288	Hydrophilic surface: 174.956

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.