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MMsINC code: MMs01177664

Type: Neutral
Formula: C₂₄H₂₁N₃O

SMILES:

O=C(N(Cc1ccncc1)CCc1ccccc1)c1nc2c(cc1)cccc2

InChI:

InChI=1/C24H21N3O/c28-24(23-11-10-21-8-4-5-9-22(21)26-23)27(18-20-12-15-25-16-13-20)17-14-19-6-2-1-3-7-19/h1-13,15-16H,14,17-18H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=139.849 kcal/mol

Physical Properties
Molecular Weight: 367.452 g/mol	logS: -4.50561	SlogP: 4.78127	Reactive groups: 0

Topological Properties
Globularity: 0.1067	Sterimol/B1: 2.60187	Sterimol/B2: 3.79156	Sterimol/B3: 3.80052
Sterimol/B4: 10.6239	Sterimol/L: 15.0366

Surface and Volume Properties
Accessible surface: 596.025	Positive charged surface: 361.209	Negative charged surface: 229.409	Volume: 368.375
Hydrophobic surface: 537.817	Hydrophilic surface: 58.208

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.