MMsINC Database Search


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MMsINC code: MMs03375765

Type: Neutral
Formula: C₁₉H₃₁O₃P

SMILES:

P1(OCC(CO1)(C)C)Oc1ccc(cc1C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C19H31O3P/c1-17(2,3)14-9-10-16(15(11-14)18(4,5)6)22-23-20-12-19(7,8)13-21-23/h9-11H,12-13H2,1-8H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=117.379 kcal/mol

Physical Properties
Molecular Weight: 338.428 g/mol	logS: -6.19736	SlogP: 5.9603	Reactive groups: 1

Topological Properties
Globularity: 0.0798263	Sterimol/B1: 3.18347	Sterimol/B2: 3.64129	Sterimol/B3: 4.18123
Sterimol/B4: 6.87514	Sterimol/L: 16.2494

Surface and Volume Properties
Accessible surface: 595.953	Positive charged surface: 428.063	Negative charged surface: 167.889	Volume: 349.5
Hydrophobic surface: 445.242	Hydrophilic surface: 150.711

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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.