MMsINC Database Search


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MMsINC code: MMs02880739

Type: Neutral
Formula: C₂₁H₂₄N₂O₅

SMILES:

O(Cc1ccccc1)C(=O)N(CC(=O)NC(Cc1ccccc1)C(OC)=O)C

InChI:

InChI=1/C21H24N2O5/c1-23(21(26)28-15-17-11-7-4-8-12-17)14-19(24)22-18(20(25)27-2)13-16-9-5-3-6-10-16/h3-12,18H,13-15H2,1-2H3,(H,22,24)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.4925 kcal/mol

Physical Properties
Molecular Weight: 384.432 g/mol	logS: -3.91195	SlogP: 2.42187	Reactive groups: 0

Topological Properties
Globularity: 0.0989163	Sterimol/B1: 2.55385	Sterimol/B2: 4.10907	Sterimol/B3: 6.10537
Sterimol/B4: 8.82278	Sterimol/L: 17.3923

Surface and Volume Properties
Accessible surface: 709.144	Positive charged surface: 472.507	Negative charged surface: 236.637	Volume: 375.875
Hydrophobic surface: 613.687	Hydrophilic surface: 95.457

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.