MMsINC Database Search


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MMsINC code: MMs01612462

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

O(CC(=O)NCc1ccc(cc1)C)c1ccccc1C(=O)NCc1ccccc1

InChI:

InChI=1/C24H24N2O3/c1-18-11-13-20(14-12-18)15-25-23(27)17-29-22-10-6-5-9-21(22)24(28)26-16-19-7-3-2-4-8-19/h2-14H,15-17H2,1H3,(H,25,27)(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=91.1427 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.76368	SlogP: 4.15302	Reactive groups: 0

Topological Properties
Globularity: 0.0289811	Sterimol/B1: 3.3214	Sterimol/B2: 3.6136	Sterimol/B3: 3.62949
Sterimol/B4: 6.81475	Sterimol/L: 23.4771

Surface and Volume Properties
Accessible surface: 737.975	Positive charged surface: 445.644	Negative charged surface: 292.331	Volume: 389.875
Hydrophobic surface: 643.229	Hydrophilic surface: 94.746

Pharmacophoric Properties
Hydrogen bond donors: 2	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.