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MMsINC code: MMs00051418

Type: Neutral
Formula: C₁₁H₁₈ClN₂O₃P

SMILES:

Clc1cc(N)c(NCP(OCC)(OCC)=O)cc1

InChI:

InChI=1/C11H18ClN2O3P/c1-3-16-18(15,17-4-2)8-14-11-6-5-9(12)7-10(11)13/h5-7,14H,3-4,8,13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.3222 kcal/mol

Physical Properties
Molecular Weight: 292.703 g/mol	logS: -2.01727	SlogP: 2.4875	Reactive groups: 0

Topological Properties
Globularity: 0.134718	Sterimol/B1: 2.25395	Sterimol/B2: 2.7651	Sterimol/B3: 4.74403
Sterimol/B4: 7.41151	Sterimol/L: 14.8608

Surface and Volume Properties
Accessible surface: 522.909	Positive charged surface: 327.456	Negative charged surface: 195.452	Volume: 261.375
Hydrophobic surface: 369.049	Hydrophilic surface: 153.86

Pharmacophoric Properties
Hydrogen bond donors: 2	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.