MMsINC Database Search


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MMsINC code: MMs00696309

Type: Neutral
Formula: C₂₄H₂₅NO₃

SMILES:

O(Cc1ccccc1)c1ccc(NC(=O)CCCOc2cc(ccc2)C)cc1

InChI:

InChI=1/C24H25NO3/c1-19-7-5-10-23(17-19)27-16-6-11-24(26)25-21-12-14-22(15-13-21)28-18-20-8-3-2-4-9-20/h2-5,7-10,12-15,17H,6,11,16,18H2,1H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.323 kcal/mol

Physical Properties
Molecular Weight: 375.468 g/mol	logS: -5.80758	SlogP: 5.63812	Reactive groups: 0

Topological Properties
Globularity: 0.0141435	Sterimol/B1: 2.39806	Sterimol/B2: 3.20877	Sterimol/B3: 3.41542
Sterimol/B4: 6.30209	Sterimol/L: 25.1812

Surface and Volume Properties
Accessible surface: 732.786	Positive charged surface: 450.78	Negative charged surface: 282.007	Volume: 383.625
Hydrophobic surface: 673.715	Hydrophilic surface: 59.071

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.