MMsINC Database Search


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MMsINC code: MMs02284866

Type: Neutral
Formula: C₁₁H₁₅N₂O₃P

SMILES:

P(OC)(O)(=O)C(N)Cc1c2c([nH]c1)cccc2

InChI:

InChI=1/C11H15N2O3P/c1-16-17(14,15)11(12)6-8-7-13-10-5-3-2-4-9(8)10/h2-5,7,11,13H,6,12H2,1H3,(H,14,15)/t11-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=44.189 kcal/mol

Physical Properties
Molecular Weight: 254.226 g/mol	logS: -0.95756	SlogP: 0.75677	Reactive groups: 0

Topological Properties
Globularity: 0.186795	Sterimol/B1: 2.02913	Sterimol/B2: 3.10616	Sterimol/B3: 4.27326
Sterimol/B4: 7.40539	Sterimol/L: 11.7941

Surface and Volume Properties
Accessible surface: 440.417	Positive charged surface: 290.882	Negative charged surface: 146.345	Volume: 229.125
Hydrophobic surface: 280.839	Hydrophilic surface: 159.578

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.