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MMsINC code: MMs03182285

Type: Neutral
Formula: C₁₆H₂₃N₃O₃

SMILES:

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

InChI:

InChI=1/C16H23N3O3/c1-10(2)14(18-11(3)20)16(22)19-13(15(17)21)9-12-7-5-4-6-8-12/h4-8,10,13-14H,9H2,1-3H3,(H2,17,21)(H,18,20)(H,19,22)/t13-,14+/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=70.4946 kcal/mol

Physical Properties
Molecular Weight: 305.378 g/mol	logS: -2.78172	SlogP: 0.35987	Reactive groups: 0

Topological Properties
Globularity: 0.126694	Sterimol/B1: 1.969	Sterimol/B2: 3.49702	Sterimol/B3: 5.20323
Sterimol/B4: 8.05937	Sterimol/L: 14.019

Surface and Volume Properties
Accessible surface: 536.109	Positive charged surface: 334.586	Negative charged surface: 201.523	Volume: 302.625
Hydrophobic surface: 351.262	Hydrophilic surface: 184.847

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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.