MMsINC Database Search


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MMsINC code: MMs01178553

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)c1ccccc1C(=O)N(Cc1ccccc1)CCc1ccccc1)C

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=100.367 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -5.40402	SlogP: 4.62467	Reactive groups: 0

Topological Properties
Globularity: 0.281477	Sterimol/B1: 2.23853	Sterimol/B2: 2.2808	Sterimol/B3: 7.89802
Sterimol/B4: 11.1968	Sterimol/L: 13.9241

Surface and Volume Properties
Accessible surface: 649.302	Positive charged surface: 399.055	Negative charged surface: 250.248	Volume: 377.75
Hydrophobic surface: 608.607	Hydrophilic surface: 40.695

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 2	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.