MMsINC Database Search


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MMsINC code: MMs02285147

Type: Neutral
Formula: C₂₆H₂₂O₂

SMILES:

OC(c1ccc(cc1)-c1ccc(cc1)C(O)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H22O2/c27-25(21-7-3-1-4-8-21)23-15-11-19(12-16-23)20-13-17-24(18-14-20)26(28)22-9-5-2-6-10-22/h1-18,25-28H/t25-,26-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=127.329 kcal/mol

Physical Properties
Molecular Weight: 366.46 g/mol	logS: -6.8891	SlogP: 5.708	Reactive groups: 0

Topological Properties
Globularity: 0.0912742	Sterimol/B1: 2.48682	Sterimol/B2: 3.72108	Sterimol/B3: 4.05776
Sterimol/B4: 6.61258	Sterimol/L: 17.1452

Surface and Volume Properties
Accessible surface: 654.672	Positive charged surface: 317.931	Negative charged surface: 324.992	Volume: 375.125
Hydrophobic surface: 577.262	Hydrophilic surface: 77.41

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.