MMsINC Database Search


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MMsINC code: MMs01737971

Type: Neutral
Formula: C₂₀H₁₆O₄

SMILES:

O1c2c(cc(cc2C)C)C(=CC1=O)c1oc2c(c1)cccc2OC

InChI:

InChI=1/C20H16O4/c1-11-7-12(2)19-15(8-11)14(10-18(21)24-19)17-9-13-5-4-6-16(22-3)20(13)23-17/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1163 kcal/mol

Physical Properties
Molecular Weight: 320.344 g/mol	logS: -6.83151	SlogP: 4.22623	Reactive groups: 0

Topological Properties
Globularity: 0.0909052	Sterimol/B1: 2.12607	Sterimol/B2: 2.80261	Sterimol/B3: 5.19209
Sterimol/B4: 8.90716	Sterimol/L: 14.9493

Surface and Volume Properties
Accessible surface: 575.657	Positive charged surface: 355.432	Negative charged surface: 214.822	Volume: 305.875
Hydrophobic surface: 497.039	Hydrophilic surface: 78.618

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.