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MMsINC code: MMs02221346

Type: Neutral
Formula: C₁₅H₂₅Cl₂N₂O₃P

SMILES:

ClCCN(P(OCCC(OCc1ccccc1)C)(=O)N)CCCl

InChI:

InChI=1/C15H25Cl2N2O3P/c1-14(21-13-15-5-3-2-4-6-15)7-12-22-23(18,20)19(10-8-16)11-9-17/h2-6,14H,7-13H2,1H3,(H2,18,20)/t14-,23-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-0.119745 kcal/mol

Physical Properties
Molecular Weight: 383.256 g/mol	logS: -3.18569	SlogP: 3.041	Reactive groups: 1

Topological Properties
Globularity: 0.0811842	Sterimol/B1: 2.26585	Sterimol/B2: 3.62744	Sterimol/B3: 5.62888
Sterimol/B4: 8.75852	Sterimol/L: 18.145

Surface and Volume Properties
Accessible surface: 669.179	Positive charged surface: 366.627	Negative charged surface: 302.552	Volume: 349.625
Hydrophobic surface: 414.626	Hydrophilic surface: 254.553

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.