MMsINC Database Search


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MMsINC code: MMs02625253

Type: Neutral
Formula: C₉H₁₄NO₂P

SMILES:

[PH](O)(=O)c1ccc(N(C)C)cc1C

InChI:

InChI=1/C9H14NO2P/c1-7-6-8(10(2)3)4-5-9(7)13(11)12/h4-6,13H,1-3H3,(H,11,12)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.4719 kcal/mol

Physical Properties
Molecular Weight: 199.19 g/mol	logS: -1.53471	SlogP: 0.08312	Reactive groups: 0

Topological Properties
Globularity: 0.0389958	Sterimol/B1: 2.359	Sterimol/B2: 2.66351	Sterimol/B3: 2.68857
Sterimol/B4: 6.02392	Sterimol/L: 12.2643

Surface and Volume Properties
Accessible surface: 394.305	Positive charged surface: 256.43	Negative charged surface: 137.875	Volume: 190.875
Hydrophobic surface: 313.911	Hydrophilic surface: 80.394

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