MMsINC Database Search


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MMsINC code: MMs00350433

Type: Neutral
Formula: C₂₃H₂₈N₂O₃

SMILES:

O(C)c1ccc(cc1)CCNC(=O)C1CCN(CC1)C(=O)Cc1ccccc1

InChI:

InChI=1/C23H28N2O3/c1-28-21-9-7-18(8-10-21)11-14-24-23(27)20-12-15-25(16-13-20)22(26)17-19-5-3-2-4-6-19/h2-10,20H,11-17H2,1H3,(H,24,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=77.0684 kcal/mol

Physical Properties
Molecular Weight: 380.488 g/mol	logS: -3.84767	SlogP: 2.83514	Reactive groups: 0

Topological Properties
Globularity: 0.03021	Sterimol/B1: 2.78497	Sterimol/B2: 4.07193	Sterimol/B3: 4.12426
Sterimol/B4: 5.15924	Sterimol/L: 23.9775

Surface and Volume Properties
Accessible surface: 714.563	Positive charged surface: 499.952	Negative charged surface: 214.61	Volume: 388.25
Hydrophobic surface: 640.479	Hydrophilic surface: 74.084

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.