MMsINC Database Search


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MMsINC code: MMs02916512

Type: Neutral
Formula: C₂₆H₂₃NO₂

SMILES:

O(Cc1cc(ccc1)C(=O)Nc1cc(cc(c1)C)C)c1c2c(ccc1)cccc2

InChI:

InChI=1/C26H23NO2/c1-18-13-19(2)15-23(14-18)27-26(28)22-10-5-7-20(16-22)17-29-25-12-6-9-21-8-3-4-11-24(21)25/h3-16H,17H2,1-2H3,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=119.042 kcal/mol

Physical Properties
Molecular Weight: 381.475 g/mol	logS: -7.99887	SlogP: 6.55434	Reactive groups: 0

Topological Properties
Globularity: 0.0544978	Sterimol/B1: 4.40241	Sterimol/B2: 4.57924	Sterimol/B3: 5.06065
Sterimol/B4: 5.98649	Sterimol/L: 20.1984

Surface and Volume Properties
Accessible surface: 701.773	Positive charged surface: 395.708	Negative charged surface: 295.074	Volume: 389.375
Hydrophobic surface: 659.572	Hydrophilic surface: 42.201

Pharmacophoric Properties
Hydrogen bond donors: 1	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.