MMsINC Database Search


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MMsINC code: MMs03010811

Type: Neutral
Formula: C₁₀H₁₁N₂O₄P

SMILES:

P(O)(O)(=O)NC(=O)c1c2c(n(c1)C)cccc2

InChI:

InChI=1/C10H11N2O4P/c1-12-6-8(10(13)11-17(14,15)16)7-4-2-3-5-9(7)12/h2-6H,1H3,(H3,11,13,14,15,16)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=-69.8272 kcal/mol

Physical Properties
Molecular Weight: 254.182 g/mol	logS: -1.15732	SlogP: 0.2898	Reactive groups: 0

Topological Properties
Globularity: 0.0342261	Sterimol/B1: 2.30319	Sterimol/B2: 3.06562	Sterimol/B3: 3.12063
Sterimol/B4: 7.80799	Sterimol/L: 12.8161

Surface and Volume Properties
Accessible surface: 443.272	Positive charged surface: 239.891	Negative charged surface: 197.541	Volume: 213.625
Hydrophobic surface: 247.647	Hydrophilic surface: 195.625

Pharmacophoric Properties
Hydrogen bond donors: 4	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.