MMsINC Database Search


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MMsINC code: MMs01708028

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(CCN(C(=O)c1ccc(cc1)C(=O)c1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C24H23NO3/c1-28-17-16-25(18-19-8-4-2-5-9-19)24(27)22-14-12-21(13-15-22)23(26)20-10-6-3-7-11-20/h2-15H,16-18H2,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=142.15 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.40837	SlogP: 4.4728	Reactive groups: 0

Topological Properties
Globularity: 0.107869	Sterimol/B1: 1.99783	Sterimol/B2: 3.20203	Sterimol/B3: 5.03126
Sterimol/B4: 10.0978	Sterimol/L: 16.781

Surface and Volume Properties
Accessible surface: 648.194	Positive charged surface: 408.935	Negative charged surface: 239.259	Volume: 375.5
Hydrophobic surface: 584.785	Hydrophilic surface: 63.409

Pharmacophoric Properties
Hydrogen bond donors: 0	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.