MMsINC Database Search


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MMsINC code: MMs02539643

Type: Neutral
Formula: C₂₄H₂₃N₃O₅

SMILES:

O(C)c1c(OC)cc(NC(=O)c2c3c(CN(Cc4cccnc4)C3=O)ccc2)cc1OC

InChI:

InChI=1/C24H23N3O5/c1-30-19-10-17(11-20(31-2)22(19)32-3)26-23(28)18-8-4-7-16-14-27(24(29)21(16)18)13-15-6-5-9-25-12-15/h4-12H,13-14H2,1-3H3,(H,26,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=145.136 kcal/mol

Physical Properties
Molecular Weight: 433.464 g/mol	logS: -4.17831	SlogP: 4.0485	Reactive groups: 0

Topological Properties
Globularity: 0.10656	Sterimol/B1: 2.26202	Sterimol/B2: 2.46075	Sterimol/B3: 7.22772
Sterimol/B4: 9.5811	Sterimol/L: 18.6843

Surface and Volume Properties
Accessible surface: 720.496	Positive charged surface: 560.044	Negative charged surface: 160.453	Volume: 406.75
Hydrophobic surface: 621.074	Hydrophilic surface: 99.422

Pharmacophoric Properties
Hydrogen bond donors: 1	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.