MMsINC Database Search


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MMsINC code: MMs03003161

Type: Neutral
Formula: C₁₅H₁₇OP

SMILES:

P(=O)(Cc1ccccc1)(CC)c1ccccc1

InChI:

InChI=1/C15H17OP/c1-2-17(16,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14/h3-12H,2,13H2,1H3/t17-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=48.2135 kcal/mol

Physical Properties
Molecular Weight: 244.274 g/mol	logS: -3.02123	SlogP: 3.0913	Reactive groups: 0

Topological Properties
Globularity: 0.135109	Sterimol/B1: 2.40849	Sterimol/B2: 3.54099	Sterimol/B3: 3.54489
Sterimol/B4: 6.45293	Sterimol/L: 14.6301

Surface and Volume Properties
Accessible surface: 474.968	Positive charged surface: 271.571	Negative charged surface: 203.396	Volume: 255.5
Hydrophobic surface: 435.348	Hydrophilic surface: 39.62

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.