MMsINC Database Search


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MMsINC code: MMs00268417

Type: Neutral
Formula: C₁₇H₂₀NO₃P

SMILES:

P(Oc1ccccc1)(Oc1ccccc1)(=O)N1CCCCC1

InChI:

InChI=1/C17H20NO3P/c19-22(18-14-8-3-9-15-18,20-16-10-4-1-5-11-16)21-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=31.0913 kcal/mol

Physical Properties
Molecular Weight: 317.325 g/mol	logS: -3.54256	SlogP: 3.6682	Reactive groups: 0

Topological Properties
Globularity: 0.166134	Sterimol/B1: 2.47221	Sterimol/B2: 3.18518	Sterimol/B3: 4.20423
Sterimol/B4: 9.21788	Sterimol/L: 14.1099

Surface and Volume Properties
Accessible surface: 544.191	Positive charged surface: 351.907	Negative charged surface: 192.284	Volume: 303.875
Hydrophobic surface: 527.501	Hydrophilic surface: 16.69

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 0

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.