MMsINC Database Search


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MMsINC code: MMs02220712

Type: Neutral
Formula: C₂₆H₂₇NO₂

SMILES:

O(C)c1cc(ccc1OC)CCN(C)C1c2c(C=Cc3c1cccc3)cccc2

InChI:

InChI=1/C26H27NO2/c1-27(17-16-19-12-15-24(28-2)25(18-19)29-3)26-22-10-6-4-8-20(22)13-14-21-9-5-7-11-23(21)26/h4-15,18,26H,16-17H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=137.354 kcal/mol

Physical Properties
Molecular Weight: 385.507 g/mol	logS: -5.55614	SlogP: 5.54697	Reactive groups: 0

Topological Properties
Globularity: 0.113198	Sterimol/B1: 3.21627	Sterimol/B2: 3.91268	Sterimol/B3: 5.13246
Sterimol/B4: 8.74977	Sterimol/L: 18.0607

Surface and Volume Properties
Accessible surface: 671.178	Positive charged surface: 480.48	Negative charged surface: 190.697	Volume: 398.625
Hydrophobic surface: 652.934	Hydrophilic surface: 18.244

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs02220713
NCID-ZINC01557576