MMsINC Database Search


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MMsINC code: MMs02309675

Type: Neutral
Formula: C₁₉H₁₄O₃

SMILES:

O(C(=O)c1c2c(ccc1C(=O)c1ccccc1)cccc2)C

InChI:

InChI=1/C19H14O3/c1-22-19(21)17-15-10-6-5-7-13(15)11-12-16(17)18(20)14-8-3-2-4-9-14/h2-12H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=90.0783 kcal/mol

Physical Properties
Molecular Weight: 290.318 g/mol	logS: -5.7173	SlogP: 3.8574	Reactive groups: 0

Topological Properties
Globularity: 0.156	Sterimol/B1: 2.2031	Sterimol/B2: 3.68478	Sterimol/B3: 5.00386
Sterimol/B4: 8.32542	Sterimol/L: 14.4977

Surface and Volume Properties
Accessible surface: 507.493	Positive charged surface: 283.151	Negative charged surface: 215.39	Volume: 281.75
Hydrophobic surface: 455.994	Hydrophilic surface: 51.499

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.