MMsINC Database Search


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MMsINC code: MMs02333847

Type: Neutral
Formula: C₁₀H₁₃O₃P

SMILES:

P1(OC(CO1)c1ccccc1)OCC

InChI:

InChI=1/C10H13O3P/c1-2-11-14-12-8-10(13-14)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.8953 kcal/mol

Physical Properties
Molecular Weight: 212.185 g/mol	logS: -2.25937	SlogP: 3.1334	Reactive groups: 1

Topological Properties
Globularity: 0.0429668	Sterimol/B1: 2.79718	Sterimol/B2: 3.26777	Sterimol/B3: 3.33022
Sterimol/B4: 4.93951	Sterimol/L: 13.9997

Surface and Volume Properties
Accessible surface: 430.44	Positive charged surface: 296.342	Negative charged surface: 134.098	Volume: 198.25
Hydrophobic surface: 349.266	Hydrophilic surface: 81.174

Pharmacophoric Properties
Hydrogen bond donors: 0	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.