MMsINC Database Search


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MMsINC code: MMs03494781

Type: Neutral
Formula: C₈H₁₀NO₄P

SMILES:

P(Oc1cc([N+](=O)[O-])ccc1)(=O)(C)C

InChI:

InChI=1/C8H10NO4P/c1-14(2,12)13-8-5-3-4-7(6-8)9(10)11/h3-6H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.5276 kcal/mol

Physical Properties
Molecular Weight: 215.145 g/mol	logS: -1.84913	SlogP: 1.4411	Reactive groups: 0

Topological Properties
Globularity: 0.0773013	Sterimol/B1: 2.29233	Sterimol/B2: 3.05236	Sterimol/B3: 3.58832
Sterimol/B4: 5.79019	Sterimol/L: 12.1524

Surface and Volume Properties
Accessible surface: 394.124	Positive charged surface: 184.222	Negative charged surface: 209.903	Volume: 181.25
Hydrophobic surface: 234.881	Hydrophilic surface: 159.243

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.