MMsINC Database Search


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MMsINC code: MMs01833306

Type: Neutral
Formula: C₁₀H₁₆NO₃P

SMILES:

P(OC)(OC)(=O)C(NC)c1ccccc1

InChI:

InChI=1/C10H16NO3P/c1-11-10(15(12,13-2)14-3)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3/t10-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0744 kcal/mol

Physical Properties
Molecular Weight: 229.216 g/mol	logS: -1.02695	SlogP: 1.4158	Reactive groups: 0

Topological Properties
Globularity: 0.17387	Sterimol/B1: 2.43152	Sterimol/B2: 2.90977	Sterimol/B3: 4.42099
Sterimol/B4: 8.21479	Sterimol/L: 12.5464

Surface and Volume Properties
Accessible surface: 445.26	Positive charged surface: 340.979	Negative charged surface: 104.281	Volume: 219.875
Hydrophobic surface: 407.537	Hydrophilic surface: 37.723

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.