MMsINC Database Search


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MMsINC code: MMs02620597

Type: Neutral
Formula: C₁₀H₁₄NO₃P

SMILES:

[PH](O)(=O)C(NC(=O)Cc1ccccc1)C

InChI:

InChI=1/C10H14NO3P/c1-8(15(13)14)11-10(12)7-9-5-3-2-4-6-9/h2-6,8,15H,7H2,1H3,(H,11,12)(H,13,14)/t8-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=36.1698 kcal/mol

Physical Properties
Molecular Weight: 227.2 g/mol	logS: -1.83285	SlogP: 0.08807	Reactive groups: 0

Topological Properties
Globularity: 0.0805925	Sterimol/B1: 2.40984	Sterimol/B2: 2.72546	Sterimol/B3: 3.83063
Sterimol/B4: 5.60618	Sterimol/L: 13.2551

Surface and Volume Properties
Accessible surface: 447.345	Positive charged surface: 253.126	Negative charged surface: 194.219	Volume: 209.75
Hydrophobic surface: 304.31	Hydrophilic surface: 143.035

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