MMsINC Database Search


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MMsINC code: MMs01575324

Type: Neutral
Formula: C₂₅H₂₆N₂O₄

SMILES:

O(C(=O)c1ccccc1NC(=O)Cc1c2c(ccc1)cccc2)CC(=O)N(CC)CC

InChI:

InChI=1/C25H26N2O4/c1-3-27(4-2)24(29)17-31-25(30)21-14-7-8-15-22(21)26-23(28)16-19-12-9-11-18-10-5-6-13-20(18)19/h5-15H,3-4,16-17H2,1-2H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=113.862 kcal/mol

Physical Properties
Molecular Weight: 418.493 g/mol	logS: -6.39695	SlogP: 4.04617	Reactive groups: 0

Topological Properties
Globularity: 0.0842479	Sterimol/B1: 2.12564	Sterimol/B2: 3.84133	Sterimol/B3: 6.67002
Sterimol/B4: 8.26649	Sterimol/L: 19.4954

Surface and Volume Properties
Accessible surface: 723.024	Positive charged surface: 447.363	Negative charged surface: 267.357	Volume: 412.125
Hydrophobic surface: 600.342	Hydrophilic surface: 122.682

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.