MMsINC Database Search


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

MMsINC code: MMs00702883

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)c1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)CCC

InChI:

InChI=1/C24H23NO3/c1-2-17-28-24(27)20-13-15-21(16-14-20)25-23(26)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16,22H,2,17H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.797 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.96951	SlogP: 5.024	Reactive groups: 0

Topological Properties
Globularity: 0.0502571	Sterimol/B1: 3.89007	Sterimol/B2: 3.99067	Sterimol/B3: 5.24533
Sterimol/B4: 6.09133	Sterimol/L: 19.3387

Surface and Volume Properties
Accessible surface: 686.305	Positive charged surface: 416.67	Negative charged surface: 269.636	Volume: 377
Hydrophobic surface: 597.564	Hydrophilic surface: 88.741

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.