MMsINC Database Search


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MMsINC code: MMs02292907

Type: Neutral
Formula: C₂₄H₂₂O₄

SMILES:

O(C(=O)c1c(C(OC)=O)c(c-2c(-c3c4c-2c(ccc4ccc3C)C)c1C)C)C

InChI:

InChI=1/C24H22O4/c1-11-7-9-15-10-8-12(2)17-19-14(4)21(24(26)28-6)20(23(25)27-5)13(3)18(19)16(11)22(15)17/h7-10H,1-6H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=219.222 kcal/mol

Physical Properties
Molecular Weight: 374.436 g/mol	logS: -9.12916	SlogP: 5.29408	Reactive groups: 0

Topological Properties
Globularity: 0.0558688	Sterimol/B1: 2.33466	Sterimol/B2: 2.55812	Sterimol/B3: 4.18657
Sterimol/B4: 9.27386	Sterimol/L: 14.5194

Surface and Volume Properties
Accessible surface: 603.218	Positive charged surface: 378.932	Negative charged surface: 199.493	Volume: 362
Hydrophobic surface: 545.617	Hydrophilic surface: 57.601

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.