MMsINC Database Search


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MMsINC code: MMs01221803

Type: Neutral
Formula: C₁₄H₂₄NOP

SMILES:

P(OCc1ccccc1)(N(C(C)C)C(C)C)C

InChI:

InChI=1/C14H24NOP/c1-12(2)15(13(3)4)17(5)16-11-14-9-7-6-8-10-14/h6-10,12-13H,11H2,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.699 kcal/mol

Physical Properties
Molecular Weight: 253.326 g/mol	logS: -2.35591	SlogP: 4.5301	Reactive groups: 1

Topological Properties
Globularity: 0.149589	Sterimol/B1: 2.34692	Sterimol/B2: 3.14345	Sterimol/B3: 4.51498
Sterimol/B4: 6.13274	Sterimol/L: 14.159

Surface and Volume Properties
Accessible surface: 494.759	Positive charged surface: 330.537	Negative charged surface: 164.222	Volume: 271.5
Hydrophobic surface: 421.852	Hydrophilic surface: 72.907

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