MMsINC Database Search


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MMsINC code: MMs01272838

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(=O)c1ccccc1Cc1ccccc1)CC(=O)NC(C)c1ccccc1

InChI:

InChI=1/C24H23NO3/c1-18(20-12-6-3-7-13-20)25-23(26)17-28-24(27)22-15-9-8-14-21(22)16-19-10-4-2-5-11-19/h2-15,18H,16-17H2,1H3,(H,25,26)/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.064 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -6.15067	SlogP: 4.40707	Reactive groups: 0

Topological Properties
Globularity: 0.0368333	Sterimol/B1: 2.32336	Sterimol/B2: 4.27263	Sterimol/B3: 5.04758
Sterimol/B4: 6.30328	Sterimol/L: 20.7524

Surface and Volume Properties
Accessible surface: 694.882	Positive charged surface: 404.666	Negative charged surface: 290.216	Volume: 374.5
Hydrophobic surface: 608.952	Hydrophilic surface: 85.93

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.