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MMsINC code: MMs01808069

Type: Neutral
Formula: C₂₁H₂₄N₄O₂

SMILES:

O=C1NCCN1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1

InChI:

InChI=1/C21H24N4O2/c26-20-22-11-12-25(20)21(27)24-15-13-23(14-16-24)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2,(H,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=157.348 kcal/mol

Physical Properties
Molecular Weight: 364.449 g/mol	logS: -3.35225	SlogP: 2.6343	Reactive groups: 0

Topological Properties
Globularity: 0.0946095	Sterimol/B1: 2.16515	Sterimol/B2: 3.48598	Sterimol/B3: 4.17893
Sterimol/B4: 9.13604	Sterimol/L: 15.9431

Surface and Volume Properties
Accessible surface: 606.738	Positive charged surface: 411.878	Negative charged surface: 194.86	Volume: 353.625
Hydrophobic surface: 491.742	Hydrophilic surface: 114.996

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

MMs01808070
IBS-ZINC02224399