MMsINC Database Search


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MMsINC code: MMs01296186

Type: Neutral
Formula: C₁₁H₁₈NO₂P

SMILES:

P(Oc1ccc(cc1)C(C)(C)C)(=O)(N)C

InChI:

InChI=1/C11H18NO2P/c1-11(2,3)9-5-7-10(8-6-9)14-15(4,12)13/h5-8H,1-4H3,(H2,12,13)/t15-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=34.8689 kcal/mol

Physical Properties
Molecular Weight: 227.244 g/mol	logS: -3.1644	SlogP: 2.0743	Reactive groups: 0

Topological Properties
Globularity: 0.098092	Sterimol/B1: 2.24782	Sterimol/B2: 3.106	Sterimol/B3: 4.43941
Sterimol/B4: 4.7229	Sterimol/L: 13.3502

Surface and Volume Properties
Accessible surface: 447.646	Positive charged surface: 279.846	Negative charged surface: 167.8	Volume: 225
Hydrophobic surface: 266.869	Hydrophilic surface: 180.777

Pharmacophoric Properties
Hydrogen bond donors: 1	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.