MMsINC Database Search


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MMsINC code: MMs00450436

Type: Neutral
Formula: C₁₀H₁₄NO₄P

SMILES:

P(O)(O)(=O)C(NC(=O)Cc1ccccc1)C

InChI:

InChI=1/C10H14NO4P/c1-8(16(13,14)15)11-10(12)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,12)(H2,13,14,15)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=4.12823 kcal/mol

Physical Properties
Molecular Weight: 243.199 g/mol	logS: -1.1309	SlogP: -0.20123	Reactive groups: 0

Topological Properties
Globularity: 0.0803012	Sterimol/B1: 2.39019	Sterimol/B2: 2.5292	Sterimol/B3: 3.88628
Sterimol/B4: 5.72715	Sterimol/L: 13.4835

Surface and Volume Properties
Accessible surface: 451.981	Positive charged surface: 266.993	Negative charged surface: 184.988	Volume: 217.5
Hydrophobic surface: 276.702	Hydrophilic surface: 175.279

Pharmacophoric Properties
Hydrogen bond donors: 4	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.