MMsINC Database Search


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MMsINC code: MMs03399610

Type: Neutral
Formula: C₂₄H₂₇O₄P

SMILES:

P(Oc1ccc(cc1)CCCCCC)(Oc1ccccc1)(Oc1ccccc1)=O

InChI:

InChI=1/C24H27O4P/c1-2-3-4-7-12-21-17-19-24(20-18-21)28-29(25,26-22-13-8-5-9-14-22)27-23-15-10-6-11-16-23/h5-6,8-11,13-20H,2-4,7,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=88.8962 kcal/mol

Physical Properties
Molecular Weight: 410.45 g/mol	logS: -8.0222	SlogP: 6.38407	Reactive groups: 0

Topological Properties
Globularity: 0.0270714	Sterimol/B1: 2.60508	Sterimol/B2: 3.99507	Sterimol/B3: 6.11646
Sterimol/B4: 6.13711	Sterimol/L: 21.6395

Surface and Volume Properties
Accessible surface: 710.079	Positive charged surface: 431.223	Negative charged surface: 278.856	Volume: 405.25
Hydrophobic surface: 640.887	Hydrophilic surface: 69.192

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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: 0

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Ions/Tautomers related molecules: no related molecules available.