MMsINC Database Search


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MMsINC code: MMs00670942

Type: Neutral
Formula: C₂₄H₂₀N₂O₂

SMILES:

O(Cc1cc(ccc1)C(=O)NCc1cccnc1)c1c2c(ccc1)cccc2

InChI:

InChI=1/C24H20N2O2/c27-24(26-16-19-7-5-13-25-15-19)21-10-3-6-18(14-21)17-28-23-12-4-9-20-8-1-2-11-22(20)23/h1-15H,16-17H2,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=96.0935 kcal/mol

Physical Properties
Molecular Weight: 368.436 g/mol	logS: -5.73693	SlogP: 5.2766	Reactive groups: 0

Topological Properties
Globularity: 0.0475187	Sterimol/B1: 2.51121	Sterimol/B2: 4.04477	Sterimol/B3: 4.57766
Sterimol/B4: 7.0093	Sterimol/L: 20.6631

Surface and Volume Properties
Accessible surface: 681.865	Positive charged surface: 404.5	Negative charged surface: 266.293	Volume: 364.75
Hydrophobic surface: 613.951	Hydrophilic surface: 67.914

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.