MMsINC Database Search


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MMsINC code: MMs00528919

Type: Neutral
Formula: C₁₉H₂₅N₂O₅P

SMILES:

P(OC(C)C)(OC(C)C)(=O)C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1

InChI:

InChI=1/C19H25N2O5P/c1-14(2)25-27(24,26-15(3)4)19(20-17-10-6-5-7-11-17)16-9-8-12-18(13-16)21(22)23/h5-15,19-20H,1-4H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=122.445 kcal/mol

Physical Properties
Molecular Weight: 392.392 g/mol	logS: -4.94988	SlogP: 4.7739	Reactive groups: 0

Topological Properties
Globularity: 0.235492	Sterimol/B1: 3.04743	Sterimol/B2: 3.99323	Sterimol/B3: 4.66964
Sterimol/B4: 8.77131	Sterimol/L: 14.5105

Surface and Volume Properties
Accessible surface: 645.78	Positive charged surface: 353.805	Negative charged surface: 291.975	Volume: 371.375
Hydrophobic surface: 467.845	Hydrophilic surface: 177.935

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

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Ions/Tautomers related molecules: no related molecules available.