MMsINC Database Search


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MMsINC code: MMs02358357

Type: Neutral
Formula: C₁₆H₂₅N₂P

SMILES:

P(N1CCCCC1)(N1CCCCC1)c1ccccc1

InChI:

InChI=1/C16H25N2P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1,4-5,10-11H,2-3,6-9,12-15H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=39.0922 kcal/mol

Physical Properties
Molecular Weight: 276.364 g/mol	logS: -2.12964	SlogP: 3.5956	Reactive groups: 1

Topological Properties
Globularity: 0.203939	Sterimol/B1: 2.36822	Sterimol/B2: 3.25978	Sterimol/B3: 4.49235
Sterimol/B4: 8.60062	Sterimol/L: 12.2861

Surface and Volume Properties
Accessible surface: 506.744	Positive charged surface: 388.611	Negative charged surface: 118.133	Volume: 290.75
Hydrophobic surface: 495.552	Hydrophilic surface: 11.192

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.