MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00010132

Type: Neutral
Formula: C₇H₁₀NO₃P

SMILES:

P(O)(O)(=O)C(N)c1ccccc1

InChI:

InChI=1/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11)/t7-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=19.491 kcal/mol

Physical Properties
Molecular Weight: 187.135 g/mol	logS: -0.26101	SlogP: -0.1531	Reactive groups: 0

Topological Properties
Globularity: 0.170494	Sterimol/B1: 3.2834	Sterimol/B2: 3.49781	Sterimol/B3: 3.55171
Sterimol/B4: 3.74423	Sterimol/L: 11.0201

Surface and Volume Properties
Accessible surface: 360.281	Positive charged surface: 198.967	Negative charged surface: 161.314	Volume: 162.75
Hydrophobic surface: 187.373	Hydrophilic surface: 172.908

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.