MMsINC Database Search


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MMsINC code: MMs02376055

Type: Neutral
Formula: C₇H₈ClO₄P

SMILES:

Clc1cc(P(O)(O)=O)c(OC)cc1

InChI:

InChI=1/C7H8ClO4P/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,1H3,(H2,9,10,11)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-16.1316 kcal/mol

Physical Properties
Molecular Weight: 222.564 g/mol	logS: -1.52955	SlogP: 0.0814	Reactive groups: 0

Topological Properties
Globularity: 0.0794737	Sterimol/B1: 2.5442	Sterimol/B2: 2.57487	Sterimol/B3: 3.61048
Sterimol/B4: 8.32534	Sterimol/L: 9.38844

Surface and Volume Properties
Accessible surface: 388.125	Positive charged surface: 198.727	Negative charged surface: 189.398	Volume: 172.875
Hydrophobic surface: 255.958	Hydrophilic surface: 132.167

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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.