MMsINC Database Search


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MMsINC code: MMs00598581

Type: Neutral
Formula: C₁₉H₁₈O₃

SMILES:

O1c2c(cc(CC)c(OCc3ccccc3)c2)C(=CC1=O)C

InChI:

InChI=1/C19H18O3/c1-3-15-10-16-13(2)9-19(20)22-18(16)11-17(15)21-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=83.8252 kcal/mol

Physical Properties
Molecular Weight: 294.35 g/mol	logS: -5.59537	SlogP: 4.41667	Reactive groups: 0

Topological Properties
Globularity: 0.0615015	Sterimol/B1: 2.4525	Sterimol/B2: 2.84875	Sterimol/B3: 4.41199
Sterimol/B4: 8.65416	Sterimol/L: 16.3475

Surface and Volume Properties
Accessible surface: 555.035	Positive charged surface: 322.837	Negative charged surface: 232.198	Volume: 293.875
Hydrophobic surface: 462.003	Hydrophilic surface: 93.032

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.