MMsINC Database Search


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MMsINC code: MMs01180700

Type: Neutral
Formula: C₂₅H₂₅NO₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(Cc1ccccc1)CCCc1ccccc1

InChI:

InChI=1/C25H25NO2/c27-25(23-13-14-24-22(18-23)15-17-28-24)26(19-21-10-5-2-6-11-21)16-7-12-20-8-3-1-4-9-20/h1-6,8-11,13-14,18H,7,12,15-17,19H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.757 kcal/mol

Physical Properties
Molecular Weight: 371.48 g/mol	logS: -5.45831	SlogP: 5.16304	Reactive groups: 0

Topological Properties
Globularity: 0.0793481	Sterimol/B1: 3.15493	Sterimol/B2: 4.10797	Sterimol/B3: 6.87533
Sterimol/B4: 8.03334	Sterimol/L: 15.1012

Surface and Volume Properties
Accessible surface: 654.681	Positive charged surface: 403.784	Negative charged surface: 250.896	Volume: 382.5
Hydrophobic surface: 611.583	Hydrophilic surface: 43.098

Pharmacophoric Properties
Hydrogen bond donors: 0	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.