MMsINC Database Search


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MMsINC code: MMs02064188

Type: Neutral
Formula: C₁₉H₁₄O₄

SMILES:

O1c2c(cc(OC)c(c2)C)C(=CC1=O)c1oc2c(c1)cccc2

InChI:

InChI=1/C19H14O4/c1-11-7-17-13(9-16(11)21-2)14(10-19(20)23-17)18-8-12-5-3-4-6-15(12)22-18/h3-10H,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.606 kcal/mol

Physical Properties
Molecular Weight: 306.317 g/mol	logS: -6.35759	SlogP: 3.91781	Reactive groups: 0

Topological Properties
Globularity: 0.0588914	Sterimol/B1: 3.38078	Sterimol/B2: 3.88088	Sterimol/B3: 4.33705
Sterimol/B4: 7.99745	Sterimol/L: 15.0895

Surface and Volume Properties
Accessible surface: 534.519	Positive charged surface: 324.877	Negative charged surface: 204.783	Volume: 288.875
Hydrophobic surface: 457.42	Hydrophilic surface: 77.099

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.