MMsINC Database Search


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MMsINC code: MMs01254861

Type: Neutral
Formula: C₂₄H₂₂N₂O₃

SMILES:

O(CCN1C(=O)C(NC1=O)(c1ccccc1)c1ccccc1)c1ccccc1C

InChI:

InChI=1/C24H22N2O3/c1-18-10-8-9-15-21(18)29-17-16-26-22(27)24(25-23(26)28,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-15H,16-17H2,1H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.358 kcal/mol

Physical Properties
Molecular Weight: 386.451 g/mol	logS: -5.57548	SlogP: 4.18092	Reactive groups: 0

Topological Properties
Globularity: 0.179006	Sterimol/B1: 2.17796	Sterimol/B2: 4.09892	Sterimol/B3: 6.25063
Sterimol/B4: 7.35787	Sterimol/L: 17.1221

Surface and Volume Properties
Accessible surface: 641.132	Positive charged surface: 368.727	Negative charged surface: 272.405	Volume: 377.375
Hydrophobic surface: 589.026	Hydrophilic surface: 52.106

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.