MMsINC Database Search


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MMsINC code: MMs00611703

Type: Neutral
Formula: C₁₉H₁₆O₄

SMILES:

O1c2c(cccc2)C(OC(=O)CC)=C(Cc2ccccc2)C1=O

InChI:

InChI=1/C19H16O4/c1-2-17(20)23-18-14-10-6-7-11-16(14)22-19(21)15(18)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=80.7583 kcal/mol

Physical Properties
Molecular Weight: 308.333 g/mol	logS: -5.20128	SlogP: 3.51257	Reactive groups: 0

Topological Properties
Globularity: 0.14753	Sterimol/B1: 2.48759	Sterimol/B2: 3.3429	Sterimol/B3: 4.38443
Sterimol/B4: 9.705	Sterimol/L: 12.9468

Surface and Volume Properties
Accessible surface: 533.024	Positive charged surface: 305.94	Negative charged surface: 227.084	Volume: 296
Hydrophobic surface: 445.451	Hydrophilic surface: 87.573

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.