MMsINC Database Search


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MMsINC code: MMs01393048

Type: Neutral
Formula: C₂₄H₂₅NO₃

SMILES:

O(CC(=O)NC(C)c1ccccc1OC)c1ccccc1Cc1ccccc1

InChI:

InChI=1/C24H25NO3/c1-18(21-13-7-9-15-23(21)27-2)25-24(26)17-28-22-14-8-6-12-20(22)16-19-10-4-3-5-11-19/h3-15,18H,16-17H2,1-2H3,(H,25,26)/t18-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=105.173 kcal/mol

Physical Properties
Molecular Weight: 375.468 g/mol	logS: -5.55625	SlogP: 4.63767	Reactive groups: 0

Topological Properties
Globularity: 0.0584431	Sterimol/B1: 2.43655	Sterimol/B2: 4.04138	Sterimol/B3: 5.24111
Sterimol/B4: 7.49586	Sterimol/L: 17.4919

Surface and Volume Properties
Accessible surface: 679.701	Positive charged surface: 432.685	Negative charged surface: 247.016	Volume: 379.875
Hydrophobic surface: 626.638	Hydrophilic surface: 53.063

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.