MMsINC Database Search


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MMsINC code: MMs00872513

Type: Neutral
Formula: C₂₄H₂₃N₃O₃

SMILES:

O(C)c1c(OC)cc(cc1OC)C1n2c(nc3c2cccc3)-c2c(N1C)cccc2

InChI:

InChI=1/C24H23N3O3/c1-26-18-11-7-5-9-16(18)23-25-17-10-6-8-12-19(17)27(23)24(26)15-13-20(28-2)22(30-4)21(14-15)29-3/h5-14,24H,1-4H3/t24-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=197.143 kcal/mol

Physical Properties
Molecular Weight: 401.466 g/mol	logS: -6.26027	SlogP: 4.8213	Reactive groups: 0

Topological Properties
Globularity: 0.258061	Sterimol/B1: 3.62019	Sterimol/B2: 3.98128	Sterimol/B3: 6.54808
Sterimol/B4: 8.55328	Sterimol/L: 15.9366

Surface and Volume Properties
Accessible surface: 636.461	Positive charged surface: 467.316	Negative charged surface: 169.145	Volume: 384
Hydrophobic surface: 593.051	Hydrophilic surface: 43.41

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: 0

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Ions/Tautomers related molecules: no related molecules available.