MMsINC Database Search


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MMsINC code: MMs03212768

Type: Neutral
Formula: C₇H₁₁N₂O₃P

SMILES:

P(OC)(OC)(=O)Nc1ncccc1

InChI:

InChI=1/C7H11N2O3P/c1-11-13(10,12-2)9-7-5-3-4-6-8-7/h3-6H,1-2H3,(H,8,9,10)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-18.3563 kcal/mol

Physical Properties
Molecular Weight: 202.15 g/mol	logS: -0.18565	SlogP: 0.8242	Reactive groups: 0

Topological Properties
Globularity: 0.239184	Sterimol/B1: 2.21327	Sterimol/B2: 3.70504	Sterimol/B3: 4.14008
Sterimol/B4: 7.44669	Sterimol/L: 10.5152

Surface and Volume Properties
Accessible surface: 400.464	Positive charged surface: 301.431	Negative charged surface: 99.0328	Volume: 177.75
Hydrophobic surface: 335.561	Hydrophilic surface: 64.903

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.