MMsINC Database Search


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MMsINC code: MMs02493607

Type: Neutral
Formula: C₂₄H₁₆O₄

SMILES:

O1C(c2c3c(cccc3ccc2)C1=O)(c1ccc(O)cc1)c1ccc(O)cc1

InChI:

InChI=1/C24H16O4/c25-18-11-7-16(8-12-18)24(17-9-13-19(26)14-10-17)21-6-2-4-15-3-1-5-20(22(15)21)23(27)28-24/h1-14,25-26H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.665 kcal/mol

Physical Properties
Molecular Weight: 368.388 g/mol	logS: -6.57879	SlogP: 5.0248	Reactive groups: 0

Topological Properties
Globularity: 0.324467	Sterimol/B1: 3.71131	Sterimol/B2: 3.99233	Sterimol/B3: 5.57571
Sterimol/B4: 7.95352	Sterimol/L: 14.5568

Surface and Volume Properties
Accessible surface: 581.57	Positive charged surface: 313.117	Negative charged surface: 259.798	Volume: 340.5
Hydrophobic surface: 439.27	Hydrophilic surface: 142.3

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 3	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.