MMsINC Database Search


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MMsINC code: MMs00190968

Type: Neutral
Formula: C₂₀H₂₄N₂O₄

SMILES:

O(CC)c1cc2N(C(=O)CN3C(=O)CCC3=O)C(C=C(c2cc1)C)(C)C

InChI:

InChI=1/C20H24N2O4/c1-5-26-14-6-7-15-13(2)11-20(3,4)22(16(15)10-14)19(25)12-21-17(23)8-9-18(21)24/h6-7,10-11H,5,8-9,12H2,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=109.173 kcal/mol

Physical Properties
Molecular Weight: 356.422 g/mol	logS: -3.83818	SlogP: 2.7628	Reactive groups: 0

Topological Properties
Globularity: 0.165988	Sterimol/B1: 2.11804	Sterimol/B2: 3.85323	Sterimol/B3: 4.77812
Sterimol/B4: 10.4895	Sterimol/L: 13.9784

Surface and Volume Properties
Accessible surface: 612.851	Positive charged surface: 391.759	Negative charged surface: 221.092	Volume: 343.25
Hydrophobic surface: 452.131	Hydrophilic surface: 160.72

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 4	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.