MMsINC Database Search


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MMsINC code: MMs01672636

Type: Neutral
Formula: C₂₄H₂₄N₂O₃

SMILES:

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

InChI:

InChI=1/C24H24N2O3/c1-26(17-23(27)25-21-12-14-22(29-2)15-13-21)24(28)16-18-8-10-20(11-9-18)19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=133.945 kcal/mol

Physical Properties
Molecular Weight: 388.467 g/mol	logS: -5.95968	SlogP: 4.00177	Reactive groups: 0

Topological Properties
Globularity: 0.0379917	Sterimol/B1: 2.37892	Sterimol/B2: 2.46882	Sterimol/B3: 4.56015
Sterimol/B4: 9.23482	Sterimol/L: 21.2974

Surface and Volume Properties
Accessible surface: 703.785	Positive charged surface: 448.776	Negative charged surface: 243.831	Volume: 388.5
Hydrophobic surface: 631.115	Hydrophilic surface: 72.67

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.