MMsINC Database Search


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MMsINC code: MMs00433652

Type: Neutral
Formula: C₂₆H₂₁NO

SMILES:

O1c2c(cccc2)C(c2c1cccc2)c1ccc(NCc2ccccc2)cc1

InChI:

InChI=1/C26H21NO/c1-2-8-19(9-3-1)18-27-21-16-14-20(15-17-21)26-22-10-4-6-12-24(22)28-25-13-7-5-11-23(25)26/h1-17,26-27H,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.545 kcal/mol

Physical Properties
Molecular Weight: 363.46 g/mol	logS: -6.94358	SlogP: 6.851	Reactive groups: 0

Topological Properties
Globularity: 0.0901902	Sterimol/B1: 3.69076	Sterimol/B2: 4.77814	Sterimol/B3: 6.01705
Sterimol/B4: 6.02336	Sterimol/L: 16.8103

Surface and Volume Properties
Accessible surface: 649.503	Positive charged surface: 371.098	Negative charged surface: 278.405	Volume: 370
Hydrophobic surface: 630.575	Hydrophilic surface: 18.928

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