MMsINC Database Search


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MMsINC code: MMs01457146

Type: Neutral
Formula: C₂₀H₂₂N₂O₄

SMILES:

O(CCN1C(=O)C(NC1=O)(C)c1ccc(cc1)C)c1ccc(OC)cc1

InChI:

InChI=1/C20H22N2O4/c1-14-4-6-15(7-5-14)20(2)18(23)22(19(24)21-20)12-13-26-17-10-8-16(25-3)9-11-17/h4-11H,12-13H2,1-3H3,(H,21,24)/t20-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=72.1611 kcal/mol

Physical Properties
Molecular Weight: 354.406 g/mol	logS: -4.49862	SlogP: 3.16112	Reactive groups: 0

Topological Properties
Globularity: 0.132312	Sterimol/B1: 1.969	Sterimol/B2: 3.68466	Sterimol/B3: 4.48534
Sterimol/B4: 10.0955	Sterimol/L: 15.4529

Surface and Volume Properties
Accessible surface: 623.054	Positive charged surface: 407.382	Negative charged surface: 215.672	Volume: 341.375
Hydrophobic surface: 521.721	Hydrophilic surface: 101.333

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	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.