MMsINC Database Search


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MMsINC code: MMs00452933

Type: Neutral
Formula: C₂₄H₂₇OP

SMILES:

P(=O)(Cc1ccccc1C)(Cc1cc(ccc1)C)Cc1ccc(cc1)C

InChI:

InChI=1/C24H27OP/c1-19-11-13-22(14-12-19)16-26(25,17-23-9-6-7-20(2)15-23)18-24-10-5-4-8-21(24)3/h4-15H,16-18H2,1-3H3/t26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=111.801 kcal/mol

Physical Properties
Molecular Weight: 362.453 g/mol	logS: -5.82772	SlogP: 6.60436	Reactive groups: 0

Topological Properties
Globularity: 0.12502	Sterimol/B1: 3.792	Sterimol/B2: 4.56956	Sterimol/B3: 4.72904
Sterimol/B4: 5.68105	Sterimol/L: 16.4516

Surface and Volume Properties
Accessible surface: 587.98	Positive charged surface: 366.766	Negative charged surface: 221.214	Volume: 383.75
Hydrophobic surface: 579.597	Hydrophilic surface: 8.383

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.