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MMsINC code: MMs02402705

Type: Neutral
Formula: C₂₀H₂₃N₃O₃

SMILES:

O=C(NC(Cc1ccccc1)C(=O)N(N=O)Cc1ccccc1)C(C)C

InChI:

InChI=1/C20H23N3O3/c1-15(2)19(24)21-18(13-16-9-5-3-6-10-16)20(25)23(22-26)14-17-11-7-4-8-12-17/h3-12,15,18H,13-14H2,1-2H3,(H,21,24)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=93.1934 kcal/mol

Physical Properties
Molecular Weight: 353.422 g/mol	logS: -4.3772	SlogP: 3.34647	Reactive groups: 0

Topological Properties
Globularity: 0.135933	Sterimol/B1: 3.65185	Sterimol/B2: 4.01197	Sterimol/B3: 4.69519
Sterimol/B4: 8.35819	Sterimol/L: 14.1918

Surface and Volume Properties
Accessible surface: 595.828	Positive charged surface: 349.143	Negative charged surface: 246.685	Volume: 348.375
Hydrophobic surface: 513.76	Hydrophilic surface: 82.068

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 4	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.