MMsINC Database Search


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MMsINC code: MMs01296189

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-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.5484 kcal/mol

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

Topological Properties
Globularity: 0.101705	Sterimol/B1: 3.52793	Sterimol/B2: 3.90542	Sterimol/B3: 4.60999
Sterimol/B4: 6.20176	Sterimol/L: 14.4529

Surface and Volume Properties
Accessible surface: 531.477	Positive charged surface: 272.085	Negative charged surface: 259.393	Volume: 282.625
Hydrophobic surface: 479.048	Hydrophilic surface: 52.429

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

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Ions/Tautomers related molecules: no related molecules available.