MMsINC Database Search


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MMsINC code: MMs02342885

Type: Neutral
Formula: C₁₇H₂₀NO₃P

SMILES:

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

InChI:

InChI=1/C17H20NO3P/c1-18(2)17(19)16(14-10-6-4-7-11-14)22(20,21-3)15-12-8-5-9-13-15/h4-13,16H,1-3H3/t16-,22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.8284 kcal/mol

Physical Properties
Molecular Weight: 317.325 g/mol	logS: -3.01516	SlogP: 2.0912	Reactive groups: 0

Topological Properties
Globularity: 0.200067	Sterimol/B1: 2.34043	Sterimol/B2: 3.01961	Sterimol/B3: 4.35747
Sterimol/B4: 9.86035	Sterimol/L: 14.481

Surface and Volume Properties
Accessible surface: 551.923	Positive charged surface: 387.266	Negative charged surface: 164.657	Volume: 309.375
Hydrophobic surface: 523.253	Hydrophilic surface: 28.67

Pharmacophoric Properties
Hydrogen bond donors: 0	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.