MMsINC Database Search


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MMsINC code: MMs02348757

Type: Neutral
Formula: C₇H₈ClO₂P

SMILES:

Clc1cc([PH](O)=O)ccc1C

InChI:

InChI=1/C7H8ClO2P/c1-5-2-3-6(11(9)10)4-7(5)8/h2-4,11H,1H3,(H,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=12.8475 kcal/mol

Physical Properties
Molecular Weight: 190.566 g/mol	logS: -2.34159	SlogP: 0.67052	Reactive groups: 0

Topological Properties
Globularity: 0.039021	Sterimol/B1: 2.34639	Sterimol/B2: 2.84951	Sterimol/B3: 3.83012
Sterimol/B4: 4.67005	Sterimol/L: 10.9481

Surface and Volume Properties
Accessible surface: 357.787	Positive charged surface: 138.594	Negative charged surface: 219.193	Volume: 160.125
Hydrophobic surface: 267.272	Hydrophilic surface: 90.515

Pharmacophoric Properties
Hydrogen bond donors: 2	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.