MMsINC Database Search


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MMsINC code: MMs01995778

Type: Neutral
Formula: C₁₀H₁₆NO₄P

SMILES:

P(OCC)(OCC)(=O)C(O)c1ccncc1

InChI:

InChI=1/C10H16NO4P/c1-3-14-16(13,15-4-2)10(12)9-5-7-11-8-6-9/h5-8,10,12H,3-4H2,1-2H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1259 kcal/mol

Physical Properties
Molecular Weight: 245.215 g/mol	logS: -0.45375	SlogP: 1.3639	Reactive groups: 0

Topological Properties
Globularity: 0.137231	Sterimol/B1: 2.20138	Sterimol/B2: 3.35063	Sterimol/B3: 4.02499
Sterimol/B4: 7.41671	Sterimol/L: 13.2055

Surface and Volume Properties
Accessible surface: 464.885	Positive charged surface: 334.229	Negative charged surface: 130.656	Volume: 227.125
Hydrophobic surface: 337.853	Hydrophilic surface: 127.032

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 5	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.