MMsINC Database Search


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MMsINC code: MMs00624559

Type: Neutral
Formula: C₂₀H₁₆O₃

SMILES:

O(C(=O)c1ccc(cc1)C)c1c2c(ccc1C(=O)C)cccc2

InChI:

InChI=1/C20H16O3/c1-13-7-9-16(10-8-13)20(22)23-19-17(14(2)21)12-11-15-5-3-4-6-18(15)19/h3-12H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.716 kcal/mol

Physical Properties
Molecular Weight: 304.345 g/mol	logS: -6.16301	SlogP: 4.57002	Reactive groups: 0

Topological Properties
Globularity: 0.061242	Sterimol/B1: 3.39392	Sterimol/B2: 4.1277	Sterimol/B3: 5.44603
Sterimol/B4: 6.57359	Sterimol/L: 15.3063

Surface and Volume Properties
Accessible surface: 555.353	Positive charged surface: 293.743	Negative charged surface: 252.206	Volume: 299.375
Hydrophobic surface: 507.541	Hydrophilic surface: 47.812

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.