MMsINC Database Search


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MMsINC code: MMs03846207

Type: Neutral
Formula: C₁₄H₂₅N₂O₃P

SMILES:

P(OCC)(OCC)(=O)CN(CCc1ccncc1)CC

InChI:

InChI=1/C14H25N2O3P/c1-4-16(12-9-14-7-10-15-11-8-14)13-20(17,18-5-2)19-6-3/h7-8,10-11H,4-6,9,12-13H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.0543 kcal/mol

Physical Properties
Molecular Weight: 300.339 g/mol	logS: -0.76763	SlogP: 2.09937	Reactive groups: 0

Topological Properties
Globularity: 0.083187	Sterimol/B1: 2.46047	Sterimol/B2: 2.67856	Sterimol/B3: 4.23471
Sterimol/B4: 9.96314	Sterimol/L: 15.5604

Surface and Volume Properties
Accessible surface: 565.148	Positive charged surface: 421.445	Negative charged surface: 143.703	Volume: 302
Hydrophobic surface: 449.169	Hydrophilic surface: 115.979

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.