MMsINC Database Search


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MMsINC code: MMs01722730

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)Cc1ccc(cc1)-c1ccccc1)CC(=O)N(CC)c1ccccc1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=121.236 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -6.47211	SlogP: 4.49237	Reactive groups: 1

Topological Properties
Globularity: 0.0480251	Sterimol/B1: 2.42782	Sterimol/B2: 3.75924	Sterimol/B3: 3.96848
Sterimol/B4: 6.9933	Sterimol/L: 22.5321

Surface and Volume Properties
Accessible surface: 693.898	Positive charged surface: 388.917	Negative charged surface: 292.828	Volume: 377
Hydrophobic surface: 607.198	Hydrophilic surface: 86.7

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

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Ions/Tautomers related molecules: no related molecules available.