MMsINC Database Search


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MMsINC code: MMs02629458

Type: Neutral
Formula: C₁₉H₁₇OP

SMILES:

[PH](=O)(Cc1ccccc1)c1ccc(cc1)-c1ccccc1

InChI:

InChI=1/C19H17OP/c20-21(15-16-7-3-1-4-8-16)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,21H,15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.4129 kcal/mol

Physical Properties
Molecular Weight: 292.318 g/mol	logS: -5.73173	SlogP: 3.935	Reactive groups: 0

Topological Properties
Globularity: 0.0244391	Sterimol/B1: 3.05645	Sterimol/B2: 3.84203	Sterimol/B3: 3.93161
Sterimol/B4: 3.95025	Sterimol/L: 18.9213

Surface and Volume Properties
Accessible surface: 553.479	Positive charged surface: 255.036	Negative charged surface: 287.705	Volume: 295.875
Hydrophobic surface: 522.14	Hydrophilic surface: 31.339

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.