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MMsINC code: MMs01692765

Type: Neutral
Formula: C₂₃H₂₄N₄O

SMILES:

O=C(Nc1ccccc1)c1ccc(cc1)CN1CCN(CC1)c1ncccc1

InChI:

InChI=1/C23H24N4O/c28-23(25-21-6-2-1-3-7-21)20-11-9-19(10-12-20)18-26-14-16-27(17-15-26)22-8-4-5-13-24-22/h1-13H,14-18H2,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=154.217 kcal/mol

Physical Properties
Molecular Weight: 372.472 g/mol	logS: -4.15003	SlogP: 3.9225	Reactive groups: 0

Topological Properties
Globularity: 0.0418602	Sterimol/B1: 3.31835	Sterimol/B2: 3.89231	Sterimol/B3: 4.16761
Sterimol/B4: 6.59508	Sterimol/L: 20.7443

Surface and Volume Properties
Accessible surface: 667.001	Positive charged surface: 450.391	Negative charged surface: 216.61	Volume: 372.5
Hydrophobic surface: 599.913	Hydrophilic surface: 67.088

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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs01692766
ENAMINE-ZINC06652192