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MMsINC code: MMs01362359

Type: Neutral
Formula: C₂₄H₂₂N₄O

SMILES:

O=C(N(Cc1cn(nc1-c1cccnc1)-c1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C24H22N4O/c1-19(29)27(16-20-9-4-2-5-10-20)17-22-18-28(23-12-6-3-7-13-23)26-24(22)21-11-8-14-25-15-21/h2-15,18H,16-17H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.6987 kcal/mol

Physical Properties
Molecular Weight: 382.467 g/mol	logS: -4.49123	SlogP: 5.0158	Reactive groups: 0

Topological Properties
Globularity: 0.124863	Sterimol/B1: 2.1972	Sterimol/B2: 5.27349	Sterimol/B3: 6.78576
Sterimol/B4: 8.57034	Sterimol/L: 17.1866

Surface and Volume Properties
Accessible surface: 667.82	Positive charged surface: 380.774	Negative charged surface: 287.047	Volume: 387
Hydrophobic surface: 601.25	Hydrophilic surface: 66.57

Pharmacophoric Properties
Hydrogen bond donors: 0	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.