MMsINC Database Search


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MMsINC code: MMs02815156

Type: Neutral
Formula: C₂₁H₂₀N₄O₄

SMILES:

O(C)c1c(OC)cc(N2C(=Nc3ncn(c3C2=O)-c2ccccc2)C)cc1OC

InChI:

InChI=1/C21H20N4O4/c1-13-23-20-18(24(12-22-20)14-8-6-5-7-9-14)21(26)25(13)15-10-16(27-2)19(29-4)17(11-15)28-3/h5-12H,1-4H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=130.57 kcal/mol

Physical Properties
Molecular Weight: 392.415 g/mol	logS: -4.85409	SlogP: 3.6084	Reactive groups: 0

Topological Properties
Globularity: 0.256981	Sterimol/B1: 2.54831	Sterimol/B2: 5.43529	Sterimol/B3: 6.3724
Sterimol/B4: 8.89312	Sterimol/L: 15.3087

Surface and Volume Properties
Accessible surface: 654.777	Positive charged surface: 474.523	Negative charged surface: 180.254	Volume: 365.25
Hydrophobic surface: 558.192	Hydrophilic surface: 96.585

Pharmacophoric Properties
Hydrogen bond donors: 0	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.