MMsINC Database Search


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MMsINC code: MMs00327802

Type: Neutral
Formula: C₂₀H₁₈N₄O₄

SMILES:

O1c2n(c3c(n2)N(C)C(=O)N(C)C3=O)CC1COc1cc2c(cc1)cccc2

InChI:

InChI=1/C20H18N4O4/c1-22-17-16(18(25)23(2)20(22)26)24-10-15(28-19(24)21-17)11-27-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,15H,10-11H2,1-2H3/t15-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=59.1052 kcal/mol

Physical Properties
Molecular Weight: 378.388 g/mol	logS: -5.21189	SlogP: 2.7845	Reactive groups: 0

Topological Properties
Globularity: 0.0190922	Sterimol/B1: 2.15876	Sterimol/B2: 2.56413	Sterimol/B3: 4.20034
Sterimol/B4: 7.06462	Sterimol/L: 20.3165

Surface and Volume Properties
Accessible surface: 632.072	Positive charged surface: 424.379	Negative charged surface: 196.753	Volume: 339.875
Hydrophobic surface: 495.24	Hydrophilic surface: 136.832

Pharmacophoric Properties
Hydrogen bond donors: 0	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.