MMsINC Database Search


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MMsINC code: MMs02119275

Type: Neutral
Formula: C₁₈H₁₅NO₄

SMILES:

O1c2cc(ccc2OC1)-c1nc2c(cc1)c(OC)ccc2OC

InChI:

InChI=1/C18H15NO4/c1-20-14-7-8-16(21-2)18-12(14)4-5-13(19-18)11-3-6-15-17(9-11)23-10-22-15/h3-9H,10H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=114 kcal/mol

Physical Properties
Molecular Weight: 309.321 g/mol	logS: -4.42446	SlogP: 3.6477	Reactive groups: 0

Topological Properties
Globularity: 0.00865456	Sterimol/B1: 2.39383	Sterimol/B2: 2.5776	Sterimol/B3: 2.66711
Sterimol/B4: 8.23883	Sterimol/L: 16.184

Surface and Volume Properties
Accessible surface: 540.135	Positive charged surface: 379.159	Negative charged surface: 150.715	Volume: 286.125
Hydrophobic surface: 453.713	Hydrophilic surface: 86.422

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.