MMsINC Database Search


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MMsINC code: MMs01431892

Type: Neutral
Formula: C₂₀H₂₃N₃O₅

SMILES:

O1c2cc(ccc2OC1)CNC(=O)CN(CC(=O)Nc1cc(OC)ccc1)C

InChI:

InChI=1/C20H23N3O5/c1-23(12-20(25)22-15-4-3-5-16(9-15)26-2)11-19(24)21-10-14-6-7-17-18(8-14)28-13-27-17/h3-9H,10-13H2,1-2H3,(H,21,24)(H,22,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=132.876 kcal/mol

Physical Properties
Molecular Weight: 385.42 g/mol	logS: -3.43081	SlogP: 1.877	Reactive groups: 0

Topological Properties
Globularity: 0.0255282	Sterimol/B1: 2.05209	Sterimol/B2: 3.20077	Sterimol/B3: 4.57357
Sterimol/B4: 5.28933	Sterimol/L: 23.9672

Surface and Volume Properties
Accessible surface: 687.483	Positive charged surface: 506.051	Negative charged surface: 181.432	Volume: 360.125
Hydrophobic surface: 535.165	Hydrophilic surface: 152.318

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 6	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.