MMsINC Database Search


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MMsINC code: MMs02657481

Type: Neutral
Formula: C₉H₆Cl₅NO₂

SMILES:

Clc1cc(Cl)ccc1OC(NC=O)C(Cl)(Cl)Cl

InChI:

InChI=1/C9H6Cl5NO2/c10-5-1-2-7(6(11)3-5)17-8(15-4-16)9(12,13)14/h1-4,8H,(H,15,16)/t8-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.3157 kcal/mol

Physical Properties
Molecular Weight: 337.417 g/mol	logS: -5.26118	SlogP: 4.2344	Reactive groups: 0

Topological Properties
Globularity: 0.203728	Sterimol/B1: 3.2849	Sterimol/B2: 3.28513	Sterimol/B3: 5.48462
Sterimol/B4: 5.74316	Sterimol/L: 12.3812

Surface and Volume Properties
Accessible surface: 464.527	Positive charged surface: 120.642	Negative charged surface: 343.885	Volume: 242.25
Hydrophobic surface: 244.103	Hydrophilic surface: 220.424

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.