MMsINC Database Search


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MMsINC code: MMs01181145

Type: Neutral
Formula: C₂₄H₂₆N₂O₄

SMILES:

O1c2cc(ccc2OC1)CN(C(=O)CN1Cc2c(cccc2)C1=O)C1CCCCC1

InChI:

InChI=1/C24H26N2O4/c27-23(15-25-14-18-6-4-5-9-20(18)24(25)28)26(19-7-2-1-3-8-19)13-17-10-11-21-22(12-17)30-16-29-21/h4-6,9-12,19H,1-3,7-8,13-16H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.464 kcal/mol

Physical Properties
Molecular Weight: 406.482 g/mol	logS: -4.80814	SlogP: 4.2654	Reactive groups: 0

Topological Properties
Globularity: 0.128869	Sterimol/B1: 3.04113	Sterimol/B2: 5.2623	Sterimol/B3: 6.13678
Sterimol/B4: 7.79969	Sterimol/L: 16.6464

Surface and Volume Properties
Accessible surface: 672.905	Positive charged surface: 455.09	Negative charged surface: 217.815	Volume: 392.5
Hydrophobic surface: 553.217	Hydrophilic surface: 119.688

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.