MMsINC Database Search


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MMsINC code: MMs01518690

Type: Neutral
Formula: C₂₁H₂₄N₂O₄

SMILES:

O1CCN(CC1)C(=O)COC(=O)c1c2CCCCCc2nc2c1cccc2

InChI:

InChI=1/C21H24N2O4/c24-19(23-10-12-26-13-11-23)14-27-21(25)20-15-6-2-1-3-8-17(15)22-18-9-5-4-7-16(18)20/h4-5,7,9H,1-3,6,8,10-14H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=120.385 kcal/mol

Physical Properties
Molecular Weight: 368.433 g/mol	logS: -4.31724	SlogP: 2.51924	Reactive groups: 0

Topological Properties
Globularity: 0.0659718	Sterimol/B1: 2.76333	Sterimol/B2: 3.59674	Sterimol/B3: 4.08661
Sterimol/B4: 9.8054	Sterimol/L: 16.3019

Surface and Volume Properties
Accessible surface: 632.434	Positive charged surface: 435.408	Negative charged surface: 191.491	Volume: 348.875
Hydrophobic surface: 537.205	Hydrophilic surface: 95.229

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.