MMsINC Database Search


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MMsINC code: MMs02351074

Type: Neutral
Formula: C₁₉H₁₁NO₄

SMILES:

O1c2c3c(c4c(nc3)c3c(cc5OCOc5c3)cc4)ccc2OC1

InChI:

InChI=1/C19H11NO4/c1-2-12-11-3-4-15-19(24-9-21-15)14(11)7-20-18(12)13-6-17-16(5-10(1)13)22-8-23-17/h1-7H,8-9H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=104.122 kcal/mol

Physical Properties
Molecular Weight: 317.3 g/mol	logS: -5.63938	SlogP: 3.9986	Reactive groups: 0

Topological Properties
Globularity: 0.00702421	Sterimol/B1: 2.4781	Sterimol/B2: 2.66033	Sterimol/B3: 2.80572
Sterimol/B4: 6.47849	Sterimol/L: 16.6848

Surface and Volume Properties
Accessible surface: 507.894	Positive charged surface: 317.226	Negative charged surface: 162.99	Volume: 277.375
Hydrophobic surface: 386.995	Hydrophilic surface: 120.899

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 5	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.