MMsINC Database Search


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MMsINC code: MMs01941638

Type: Neutral
Formula: C₁₄H₁₆NO₂P

SMILES:

[PH](O)(=O)C(NCc1ccccc1)c1ccccc1

InChI:

InChI=1/C14H16NO2P/c16-18(17)14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1-10,14-15,18H,11H2,(H,16,17)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=81.1577 kcal/mol

Physical Properties
Molecular Weight: 261.261 g/mol	logS: -2.80644	SlogP: 2.2337	Reactive groups: 0

Topological Properties
Globularity: 0.10254	Sterimol/B1: 3.05766	Sterimol/B2: 3.56266	Sterimol/B3: 4.19316
Sterimol/B4: 5.99373	Sterimol/L: 14.2576

Surface and Volume Properties
Accessible surface: 486.024	Positive charged surface: 254.813	Negative charged surface: 231.211	Volume: 249.875
Hydrophobic surface: 392.076	Hydrophilic surface: 93.948

Pharmacophoric Properties
Hydrogen bond donors: 3	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.