MMsINC Database Search


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MMsINC code: MMs01366452

Type: Neutral
Formula: C₂₄H₂₆N₂O₃

SMILES:

O(C(=O)c1cc2c3CCCCc3[nH]c2cc1)CC(=O)Nc1ccc(cc1)C(C)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=89.601 kcal/mol

Physical Properties
Molecular Weight: 390.483 g/mol	logS: -6.64611	SlogP: 4.96554	Reactive groups: 0

Topological Properties
Globularity: 0.0134847	Sterimol/B1: 2.48984	Sterimol/B2: 4.14387	Sterimol/B3: 4.27642
Sterimol/B4: 4.397	Sterimol/L: 23.5477

Surface and Volume Properties
Accessible surface: 709.649	Positive charged surface: 482.292	Negative charged surface: 221.665	Volume: 386.875
Hydrophobic surface: 554.742	Hydrophilic surface: 154.907

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	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.