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MMsINC code: MMs00266381

Type: Neutral
Formula: C₂₁H₂₄N₂O₃

SMILES:

O(C)c1ccc(cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1

InChI:

InChI=1/C21H24N2O3/c1-26-17-12-10-16(11-13-17)20(24)22-19-9-5-4-8-18(19)21(25)23-14-6-2-3-7-15-23/h4-5,8-13H,2-3,6-7,14-15H2,1H3,(H,22,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=116.951 kcal/mol

Physical Properties
Molecular Weight: 352.434 g/mol	logS: -4.40131	SlogP: 3.9637	Reactive groups: 0

Topological Properties
Globularity: 0.0683392	Sterimol/B1: 3.18509	Sterimol/B2: 3.98687	Sterimol/B3: 4.00519
Sterimol/B4: 8.74305	Sterimol/L: 15.0246

Surface and Volume Properties
Accessible surface: 599.682	Positive charged surface: 403.182	Negative charged surface: 196.5	Volume: 348.25
Hydrophobic surface: 541.184	Hydrophilic surface: 58.498

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: no related molecules available.