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MMsINC code: MMs01665154

Type: Neutral
Formula: C₂₀H₂₄N₄O₂

SMILES:

O=C(N1CCN(CC1)C(c1ccccc1)c1ccccc1)CNC(=O)N

InChI:

InChI=1/C20H24N4O2/c21-20(26)22-15-18(25)23-11-13-24(14-12-23)19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,19H,11-15H2,(H3,21,22,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.21 kcal/mol

Physical Properties
Molecular Weight: 352.438 g/mol	logS: -3.35943	SlogP: 1.684	Reactive groups: 0

Topological Properties
Globularity: 0.0857356	Sterimol/B1: 2.25614	Sterimol/B2: 3.65896	Sterimol/B3: 4.13193
Sterimol/B4: 9.30466	Sterimol/L: 16.9321

Surface and Volume Properties
Accessible surface: 622.156	Positive charged surface: 416.142	Negative charged surface: 206.015	Volume: 344.25
Hydrophobic surface: 454.651	Hydrophilic surface: 167.505

Pharmacophoric Properties
Hydrogen bond donors: 2	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

MMs01665155
ENAMINE-ZINC06508772