MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01296188

Type: Neutral
Formula: C₁₅H₁₆ClO₃P

SMILES:

Clc1ccc(OP(Oc2cc(C)c(cc2)C)(=O)C)cc1

InChI:

InChI=1/C15H16ClO3P/c1-11-4-7-15(10-12(11)2)19-20(3,17)18-14-8-5-13(16)6-9-14/h4-10H,1-3H3/t20-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.4959 kcal/mol

Physical Properties
Molecular Weight: 310.717 g/mol	logS: -4.69767	SlogP: 4.16734	Reactive groups: 0

Topological Properties
Globularity: 0.0890564	Sterimol/B1: 2.93552	Sterimol/B2: 2.9983	Sterimol/B3: 4.38217
Sterimol/B4: 6.91997	Sterimol/L: 14.8837

Surface and Volume Properties
Accessible surface: 529.902	Positive charged surface: 271.211	Negative charged surface: 258.691	Volume: 280.625
Hydrophobic surface: 478.499	Hydrophilic surface: 51.403

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.