MMsINC Database Search


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MMsINC code: MMs00931828

Type: Neutral
Formula: C₂₄H₂₁N₃O₃

SMILES:

O(C)c1ccccc1Nc1ncc(c2c1cccc2)C(=O)Nc1ccccc1OC

InChI:

InChI=1/C24H21N3O3/c1-29-21-13-7-5-11-19(21)26-23-17-10-4-3-9-16(17)18(15-25-23)24(28)27-20-12-6-8-14-22(20)30-2/h3-15H,1-2H3,(H,25,26)(H,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=167.493 kcal/mol

Physical Properties
Molecular Weight: 399.45 g/mol	logS: -6.00695	SlogP: 5.2479	Reactive groups: 0

Topological Properties
Globularity: 0.0283474	Sterimol/B1: 2.32316	Sterimol/B2: 4.54345	Sterimol/B3: 5.31936
Sterimol/B4: 7.35776	Sterimol/L: 19.014

Surface and Volume Properties
Accessible surface: 684.339	Positive charged surface: 456.953	Negative charged surface: 215.751	Volume: 381.125
Hydrophobic surface: 630.732	Hydrophilic surface: 53.607

Pharmacophoric Properties
Hydrogen bond donors: 2	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.