MMsINC Database Search


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MMsINC code: MMs01296098

Type: Neutral
Formula: C₈H₁₁N₂O₄P

SMILES:

P(O)(O)(=O)CNC(=O)Nc1ccccc1

InChI:

InChI=1/C8H11N2O4P/c11-8(9-6-15(12,13)14)10-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10,11)(H2,12,13,14)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-14.3181 kcal/mol

Physical Properties
Molecular Weight: 230.16 g/mol	logS: -0.46417	SlogP: -0.1269	Reactive groups: 0

Topological Properties
Globularity: 0.0868313	Sterimol/B1: 3.22421	Sterimol/B2: 3.2922	Sterimol/B3: 3.68847
Sterimol/B4: 4.35531	Sterimol/L: 13.7906

Surface and Volume Properties
Accessible surface: 422.152	Positive charged surface: 245.583	Negative charged surface: 176.569	Volume: 191.5
Hydrophobic surface: 230.319	Hydrophilic surface: 191.833

Pharmacophoric Properties
Hydrogen bond donors: 5	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.