MMsINC Database Search


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MMsINC code: MMs02611186

Type: Neutral
Formula: C₂₃H₁₉NO₂

SMILES:

O(C)c1ccc(cc1)-c1nc(OCc2cc3c(cc2)cccc3)ccc1

InChI:

InChI=1/C23H19NO2/c1-25-21-13-11-19(12-14-21)22-7-4-8-23(24-22)26-16-17-9-10-18-5-2-3-6-20(18)15-17/h2-15H,16H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.4972 kcal/mol

Physical Properties
Molecular Weight: 341.41 g/mol	logS: -6.57972	SlogP: 5.7558	Reactive groups: 0

Topological Properties
Globularity: 0.046351	Sterimol/B1: 2.35675	Sterimol/B2: 4.10762	Sterimol/B3: 4.38343
Sterimol/B4: 8.35977	Sterimol/L: 20.1177

Surface and Volume Properties
Accessible surface: 631.738	Positive charged surface: 364.734	Negative charged surface: 251.954	Volume: 344.75
Hydrophobic surface: 591.973	Hydrophilic surface: 39.765

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.