MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01180693

Type: Neutral
Formula: C₂₄H₂₃NO₂

SMILES:

O1CCc2cc(ccc12)C(=O)N(Cc1ccccc1)CCc1ccccc1

InChI:

InChI=1/C24H23NO2/c26-24(22-11-12-23-21(17-22)14-16-27-23)25(18-20-9-5-2-6-10-20)15-13-19-7-3-1-4-8-19/h1-12,17H,13-16,18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=165.574 kcal/mol

Physical Properties
Molecular Weight: 357.453 g/mol	logS: -5.25654	SlogP: 4.77294	Reactive groups: 0

Topological Properties
Globularity: 0.100257	Sterimol/B1: 2.40572	Sterimol/B2: 2.78035	Sterimol/B3: 4.68874
Sterimol/B4: 11.6933	Sterimol/L: 14.8659

Surface and Volume Properties
Accessible surface: 608.399	Positive charged surface: 370.001	Negative charged surface: 238.398	Volume: 363.125
Hydrophobic surface: 567.021	Hydrophilic surface: 41.378

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.