MMsINC Database Search


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MMsINC code: MMs02271312

Type: Neutral
Formula: C₁₄H₂₃NP₂

SMILES:

P1(CCP(N(CC)CC)CC1)c1ccccc1

InChI:

InChI=1/C14H23NP2/c1-3-15(4-2)17-12-10-16(11-13-17)14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.0716 kcal/mol

Physical Properties
Molecular Weight: 267.293 g/mol	logS: -1.31293	SlogP: 3.5461	Reactive groups: 1

Topological Properties
Globularity: 0.0789455	Sterimol/B1: 2.20252	Sterimol/B2: 2.98216	Sterimol/B3: 4.00099
Sterimol/B4: 6.36879	Sterimol/L: 14.9489

Surface and Volume Properties
Accessible surface: 511.583	Positive charged surface: 354.783	Negative charged surface: 156.8	Volume: 277.25
Hydrophobic surface: 438.79	Hydrophilic surface: 72.793

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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.