MMsINC Database Search


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MMsINC code: MMs02996869

Type: Neutral
Formula: C₂₇H₂₄O₄

SMILES:

O(Cc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1O

InChI:

InChI=1/C27H24O4/c28-27-25(30-19-22-12-6-2-7-13-22)16-24(29-18-21-10-4-1-5-11-21)17-26(27)31-20-23-14-8-3-9-15-23/h1-17,28H,18-20H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.797 kcal/mol

Physical Properties
Molecular Weight: 412.485 g/mol	logS: -6.47777	SlogP: 6.9284	Reactive groups: 0

Topological Properties
Globularity: 0.0803431	Sterimol/B1: 2.55745	Sterimol/B2: 3.61644	Sterimol/B3: 3.67312
Sterimol/B4: 14.3607	Sterimol/L: 18.14

Surface and Volume Properties
Accessible surface: 769.512	Positive charged surface: 443.697	Negative charged surface: 325.815	Volume: 411.125
Hydrophobic surface: 699.539	Hydrophilic surface: 69.973

Pharmacophoric Properties
Hydrogen bond donors: 1	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: 1

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Ions/Tautomers related molecules: no related molecules available.