MMsINC Database Search


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MMsINC code: MMs00603965

Type: Neutral
Formula: C₁₁H₁₇O₂P

SMILES:

P(=O)(CC)(CC)c1ccccc1CO

InChI:

InChI=1/C11H17O2P/c1-3-14(13,4-2)11-8-6-5-7-10(11)9-12/h5-8,12H,3-4,9H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.9607 kcal/mol

Physical Properties
Molecular Weight: 212.229 g/mol	logS: -1.35156	SlogP: 1.4033	Reactive groups: 0

Topological Properties
Globularity: 0.196181	Sterimol/B1: 2.8109	Sterimol/B2: 3.12574	Sterimol/B3: 4.40325
Sterimol/B4: 6.52702	Sterimol/L: 11.0203

Surface and Volume Properties
Accessible surface: 421.212	Positive charged surface: 267.401	Negative charged surface: 153.811	Volume: 217.375
Hydrophobic surface: 304.759	Hydrophilic surface: 116.453

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.