MMsINC Database Search


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MMsINC code: MMs03523443

Type: Neutral
Formula: C₁₉H₂₅O₃P

SMILES:

P(Oc1ccc(cc1C)C)(Oc1ccc(cc1C)C)(=O)C(C)C

InChI:

InChI=1/C19H25O3P/c1-13(2)23(20,21-18-9-7-14(3)11-16(18)5)22-19-10-8-15(4)12-17(19)6/h7-13H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.4385 kcal/mol

Physical Properties
Molecular Weight: 332.38 g/mol	logS: -4.93874	SlogP: 4.90938	Reactive groups: 0

Topological Properties
Globularity: 0.133586	Sterimol/B1: 3.14226	Sterimol/B2: 3.40653	Sterimol/B3: 4.40181
Sterimol/B4: 7.5609	Sterimol/L: 14.6469

Surface and Volume Properties
Accessible surface: 568.857	Positive charged surface: 364.785	Negative charged surface: 204.072	Volume: 334.625
Hydrophobic surface: 518.68	Hydrophilic surface: 50.177

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.