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MMsINC code: MMs03405515

Type: Neutral
Formula: C₁₅H₂₂Cl₂NO₆P

SMILES:

ClCCOP(OCCCl)(=O)NC(Cc1ccc(O)cc1)C(OCC)=O

InChI:

InChI=1/C15H22Cl2NO6P/c1-2-22-15(20)14(11-12-3-5-13(19)6-4-12)18-25(21,23-9-7-16)24-10-8-17/h3-6,14,19H,2,7-11H2,1H3,(H,18,21)/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.1293 kcal/mol

Physical Properties
Molecular Weight: 414.222 g/mol	logS: -3.04203	SlogP: 2.00467	Reactive groups: 1

Topological Properties
Globularity: 0.142292	Sterimol/B1: 2.39472	Sterimol/B2: 3.63941	Sterimol/B3: 5.02467
Sterimol/B4: 9.46801	Sterimol/L: 14.6126

Surface and Volume Properties
Accessible surface: 606.325	Positive charged surface: 358.988	Negative charged surface: 247.338	Volume: 349.75
Hydrophobic surface: 366.541	Hydrophilic surface: 239.784

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 5	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.