MMsINC Database Search


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MMsINC code: MMs00599180

Type: Neutral
Formula: C₁₃H₂₃N₂P

SMILES:

P(Nc1ncc(cc1)C)(C(C)(C)C)C(C)C

InChI:

InChI=1/C13H23N2P/c1-10(2)16(13(4,5)6)15-12-8-7-11(3)9-14-12/h7-10H,1-6H3,(H,14,15)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=62.192 kcal/mol

Physical Properties
Molecular Weight: 238.315 g/mol	logS: -1.62253	SlogP: 4.40572	Reactive groups: 1

Topological Properties
Globularity: 0.156058	Sterimol/B1: 3.06303	Sterimol/B2: 4.62254	Sterimol/B3: 4.88551
Sterimol/B4: 5.07935	Sterimol/L: 12.9955

Surface and Volume Properties
Accessible surface: 482.505	Positive charged surface: 331.309	Negative charged surface: 151.196	Volume: 259.875
Hydrophobic surface: 386.62	Hydrophilic surface: 95.885

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.