MMsINC Database Search


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MMsINC code: MMs00787236

Type: Neutral
Formula: C₂₅H₂₄N₂O₃

SMILES:

O1CCN(CC1)C(=O)c1ccc(NC(=O)Cc2ccc(cc2)-c2ccccc2)cc1

InChI:

InChI=1/C25H24N2O3/c28-24(18-19-6-8-21(9-7-19)20-4-2-1-3-5-20)26-23-12-10-22(11-13-23)25(29)27-14-16-30-17-15-27/h1-13H,14-18H2,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=159.517 kcal/mol

Physical Properties
Molecular Weight: 400.478 g/mol	logS: -6.17434	SlogP: 4.00717	Reactive groups: 0

Topological Properties
Globularity: 0.0554645	Sterimol/B1: 2.23353	Sterimol/B2: 4.17721	Sterimol/B3: 4.3947
Sterimol/B4: 7.35357	Sterimol/L: 21.317

Surface and Volume Properties
Accessible surface: 704.084	Positive charged surface: 439.844	Negative charged surface: 253.139	Volume: 393.125
Hydrophobic surface: 620.461	Hydrophilic surface: 83.623

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.