MMsINC Database Search


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MMsINC code: MMs02735045

Type: Neutral
Formula: C₂₄H₂₅NO₂

SMILES:

O(C)c1ccc(cc1)C(=O)N(C(C)c1ccccc1)Cc1ccc(cc1)C

InChI:

InChI=1/C24H25NO2/c1-18-9-11-20(12-10-18)17-25(19(2)21-7-5-4-6-8-21)24(26)22-13-15-23(27-3)16-14-22/h4-16,19H,17H2,1-3H3/t19-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=125.139 kcal/mol

Physical Properties
Molecular Weight: 359.469 g/mol	logS: -5.81233	SlogP: 5.76912	Reactive groups: 0

Topological Properties
Globularity: 0.140415	Sterimol/B1: 2.99572	Sterimol/B2: 3.31432	Sterimol/B3: 5.23804
Sterimol/B4: 9.97519	Sterimol/L: 16.8073

Surface and Volume Properties
Accessible surface: 629.035	Positive charged surface: 389.295	Negative charged surface: 239.74	Volume: 372
Hydrophobic surface: 578.254	Hydrophilic surface: 50.781

Pharmacophoric Properties
Hydrogen bond donors: 0	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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.