MMsINC Database Search


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MMsINC code: MMs00549137

Type: Neutral
Formula: C₂₅H₂₂O₃

SMILES:

O(c1c(C)c(C)c(C)c(C)c1C)c1c2c(ccc1)C(=O)c1c(cccc1)C2=O

InChI:

InChI=1/C25H22O3/c1-13-14(2)16(4)25(17(5)15(13)3)28-21-12-8-11-20-22(21)24(27)19-10-7-6-9-18(19)23(20)26/h6-12H,1-5H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=131.182 kcal/mol

Physical Properties
Molecular Weight: 370.448 g/mol	logS: -7.41041	SlogP: 5.7964	Reactive groups: 0

Topological Properties
Globularity: 0.133933	Sterimol/B1: 4.09827	Sterimol/B2: 4.44392	Sterimol/B3: 4.74706
Sterimol/B4: 5.09444	Sterimol/L: 17.1546

Surface and Volume Properties
Accessible surface: 613.489	Positive charged surface: 348.372	Negative charged surface: 265.117	Volume: 368.375
Hydrophobic surface: 551.011	Hydrophilic surface: 62.478

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.