MMsINC Database Search


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MMsINC code: MMs02322286

Type: Neutral
Formula: C₁₇H₁₆O₃

SMILES:

O(C(=O)c1ccccc1C(=O)c1cc(C)c(cc1)C)C

InChI:

InChI=1/C17H16O3/c1-11-8-9-13(10-12(11)2)16(18)14-6-4-5-7-15(14)17(19)20-3/h4-10H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=86.1591 kcal/mol

Physical Properties
Molecular Weight: 268.312 g/mol	logS: -4.78726	SlogP: 3.32104	Reactive groups: 0

Topological Properties
Globularity: 0.161974	Sterimol/B1: 2.52187	Sterimol/B2: 5.15125	Sterimol/B3: 5.81435
Sterimol/B4: 5.85721	Sterimol/L: 13.3662

Surface and Volume Properties
Accessible surface: 507.429	Positive charged surface: 317.487	Negative charged surface: 189.942	Volume: 267.5
Hydrophobic surface: 455.773	Hydrophilic surface: 51.656

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.