MMsINC Database Search


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MMsINC code: MMs00729169

Type: Neutral
Formula: C₂₆H₁₉NO₂

SMILES:

O(C(=O)c1ccccc1)c1ccccc1Cn1c2c(c3c1cccc3)cccc2

InChI:

InChI=1/C26H19NO2/c28-26(19-10-2-1-3-11-19)29-25-17-9-4-12-20(25)18-27-23-15-7-5-13-21(23)22-14-6-8-16-24(22)27/h1-17H,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=115.72 kcal/mol

Physical Properties
Molecular Weight: 377.443 g/mol	logS: -7.29743	SlogP: 6.3284	Reactive groups: 0

Topological Properties
Globularity: 0.107072	Sterimol/B1: 3.16421	Sterimol/B2: 4.46989	Sterimol/B3: 5.16855
Sterimol/B4: 7.23064	Sterimol/L: 16.0446

Surface and Volume Properties
Accessible surface: 605.938	Positive charged surface: 303.896	Negative charged surface: 290.987	Volume: 376.875
Hydrophobic surface: 573.811	Hydrophilic surface: 32.127

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	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: 0

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Ions/Tautomers related molecules: no related molecules available.