MMsINC Database Search


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MMsINC code: MMs00746759

Type: Neutral
Formula: C₂₁H₁₉NO₂

SMILES:

O(CCn1c2c(c3c1cccc3)cccc2)c1ccccc1OC

InChI:

InChI=1/C21H19NO2/c1-23-20-12-6-7-13-21(20)24-15-14-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h2-13H,14-15H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=85.908 kcal/mol

Physical Properties
Molecular Weight: 317.388 g/mol	logS: -5.31057	SlogP: 5.1485	Reactive groups: 0

Topological Properties
Globularity: 0.111465	Sterimol/B1: 2.57175	Sterimol/B2: 5.95787	Sterimol/B3: 5.9739
Sterimol/B4: 6.95825	Sterimol/L: 15.0468

Surface and Volume Properties
Accessible surface: 590.267	Positive charged surface: 360.747	Negative charged surface: 218.956	Volume: 320.125
Hydrophobic surface: 576.54	Hydrophilic surface: 13.727

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.