MMsINC Database Search


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MMsINC code: MMs02727022

Type: Neutral
Formula: C₂₄H₂₃NO₃

SMILES:

O(C(C(=O)Nc1ccc(cc1)C(=O)c1ccccc1)C)c1ccc(cc1C)C

InChI:

InChI=1/C24H23NO3/c1-16-9-14-22(17(2)15-16)28-18(3)24(27)25-21-12-10-20(11-13-21)23(26)19-7-5-4-6-8-19/h4-15,18H,1-3H3,(H,25,27)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=141.427 kcal/mol

Physical Properties
Molecular Weight: 373.452 g/mol	logS: -6.4661	SlogP: 4.94044	Reactive groups: 0

Topological Properties
Globularity: 0.0342755	Sterimol/B1: 2.46647	Sterimol/B2: 3.68095	Sterimol/B3: 4.45659
Sterimol/B4: 4.93309	Sterimol/L: 21.9373

Surface and Volume Properties
Accessible surface: 681.792	Positive charged surface: 389.451	Negative charged surface: 292.341	Volume: 373.375
Hydrophobic surface: 589.539	Hydrophilic surface: 92.253

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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.