MMsINC Database Search


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MMsINC code: MMs00180266

Type: Neutral
Formula: C₂₀H₂₃N₃O₃

SMILES:

O(C)c1c(OC)c(OC)ccc1CNc1ncc(n1C)-c1ccccc1

InChI:

InChI=1/C20H23N3O3/c1-23-16(14-8-6-5-7-9-14)13-22-20(23)21-12-15-10-11-17(24-2)19(26-4)18(15)25-3/h5-11,13H,12H2,1-4H3,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=103.962 kcal/mol

Physical Properties
Molecular Weight: 353.422 g/mol	logS: -4.59553	SlogP: 4.3506	Reactive groups: 0

Topological Properties
Globularity: 0.100861	Sterimol/B1: 3.15767	Sterimol/B2: 3.97697	Sterimol/B3: 5.12823
Sterimol/B4: 6.51296	Sterimol/L: 19.236

Surface and Volume Properties
Accessible surface: 639.598	Positive charged surface: 497.555	Negative charged surface: 142.044	Volume: 351.625
Hydrophobic surface: 588.644	Hydrophilic surface: 50.954

Pharmacophoric Properties
Hydrogen bond donors: 1	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.