MMsINC Database Search


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MMsINC code: MMs00268715

Type: Neutral
Formula: C₂₆H₂₇NO₂

SMILES:

O1CCC(CC1)(CNC(=O)C(c1ccccc1)c1ccccc1)c1ccccc1

InChI:

InChI=1/C26H27NO2/c28-25(24(21-10-4-1-5-11-21)22-12-6-2-7-13-22)27-20-26(16-18-29-19-17-26)23-14-8-3-9-15-23/h1-15,24H,16-20H2,(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=129.606 kcal/mol

Physical Properties
Molecular Weight: 385.507 g/mol	logS: -5.50845	SlogP: 4.6831	Reactive groups: 0

Topological Properties
Globularity: 0.190646	Sterimol/B1: 2.87313	Sterimol/B2: 3.40614	Sterimol/B3: 4.90354
Sterimol/B4: 8.29782	Sterimol/L: 14.5583

Surface and Volume Properties
Accessible surface: 628.926	Positive charged surface: 424.646	Negative charged surface: 204.281	Volume: 393
Hydrophobic surface: 594.28	Hydrophilic surface: 34.646

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.