MMsINC Database Search


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MMsINC code: MMs01021544

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(CC)c1ccc(NC(=O)C(=O)c2cc(n(c2C)-c2cc(C)c(cc2)C)C)cc1

InChI:

InChI=1/C24H26N2O3/c1-6-29-21-11-8-19(9-12-21)25-24(28)23(27)22-14-17(4)26(18(22)5)20-10-7-15(2)16(3)13-20/h7-14H,6H2,1-5H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=140.295 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -5.79952	SlogP: 4.93108	Reactive groups: 0

Topological Properties
Globularity: 0.0229229	Sterimol/B1: 3.46139	Sterimol/B2: 3.61926	Sterimol/B3: 4.09852
Sterimol/B4: 5.66415	Sterimol/L: 23.0804

Surface and Volume Properties
Accessible surface: 710.697	Positive charged surface: 445.34	Negative charged surface: 265.357	Volume: 395.875
Hydrophobic surface: 608.362	Hydrophilic surface: 102.335

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.