MMsINC Database Search


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MMsINC code: MMs03256805

Type: Neutral
Formula: C₂₄H₂₁N₃O

SMILES:

O=C(Nc1nccc(c1)C)c1cc(nc2c1cccc2)-c1ccc(cc1C)C

InChI:

InChI=1/C24H21N3O/c1-15-8-9-18(17(3)12-15)22-14-20(19-6-4-5-7-21(19)26-22)24(28)27-23-13-16(2)10-11-25-23/h4-14H,1-3H3,(H,25,27,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.258 kcal/mol

Physical Properties
Molecular Weight: 367.452 g/mol	logS: -6.81347	SlogP: 5.47436	Reactive groups: 0

Topological Properties
Globularity: 0.0334957	Sterimol/B1: 2.20764	Sterimol/B2: 2.91939	Sterimol/B3: 4.09933
Sterimol/B4: 11.5451	Sterimol/L: 17.0267

Surface and Volume Properties
Accessible surface: 657.188	Positive charged surface: 396.6	Negative charged surface: 251.589	Volume: 369
Hydrophobic surface: 600.64	Hydrophilic surface: 56.548

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.