MMsINC Database Search


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MMsINC code: MMs00014786

Type: Neutral
Formula: C₂₂H₃₂NP

SMILES:

P(C(C)(C)C)(C(C)(C)C)c1ccccc1-c1ccccc1N(C)C

InChI:

InChI=1/C22H32NP/c1-21(2,3)24(22(4,5)6)20-16-12-10-14-18(20)17-13-9-11-15-19(17)23(7)8/h9-16H,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=338.051 kcal/mol

Physical Properties
Molecular Weight: 341.479 g/mol	logS: -5.39265	SlogP: 6.1238	Reactive groups: 1

Topological Properties
Globularity: 0.519008	Sterimol/B1: 3.46813	Sterimol/B2: 3.64996	Sterimol/B3: 6.01306
Sterimol/B4: 6.55824	Sterimol/L: 12.061

Surface and Volume Properties
Accessible surface: 540.416	Positive charged surface: 381.358	Negative charged surface: 158.784	Volume: 365.5
Hydrophobic surface: 467.031	Hydrophilic surface: 73.385

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.