MMsINC Database Search


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MMsINC code: MMs01961775

Type: Neutral
Formula: C₂₄H₁₉N₃O₂

SMILES:

o1c-2c(c(-c3cccnc3)c1NCc1ccccc1)C(=O)N(c1c-2cccc1)C

InChI:

InChI=1/C24H19N3O2/c1-27-19-12-6-5-11-18(19)22-21(24(27)28)20(17-10-7-13-25-15-17)23(29-22)26-14-16-8-3-2-4-9-16/h2-13,15,26H,14H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.5068 kcal/mol

Physical Properties
Molecular Weight: 381.435 g/mol	logS: -6.64107	SlogP: 5.4771	Reactive groups: 0

Topological Properties
Globularity: 0.0546842	Sterimol/B1: 3.5649	Sterimol/B2: 3.70312	Sterimol/B3: 5.82938
Sterimol/B4: 7.50597	Sterimol/L: 17.1981

Surface and Volume Properties
Accessible surface: 662.256	Positive charged surface: 433.101	Negative charged surface: 229.156	Volume: 368.375
Hydrophobic surface: 597.074	Hydrophilic surface: 65.182

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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: 0

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Ions/Tautomers related molecules: no related molecules available.