MMsINC Database Search


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MMsINC code: MMs02883648

Type: Neutral
Formula: C₂₃H₂₅NO₂

SMILES:

O(CCNC(=O)c1c2c(ccc1)cccc2)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C23H25NO2/c1-23(2,3)18-11-13-19(14-12-18)26-16-15-24-22(25)21-10-6-8-17-7-4-5-9-20(17)21/h4-14H,15-16H2,1-3H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=112.009 kcal/mol

Physical Properties
Molecular Weight: 347.458 g/mol	logS: -7.27319	SlogP: 4.9461	Reactive groups: 0

Topological Properties
Globularity: 0.0302695	Sterimol/B1: 2.41228	Sterimol/B2: 4.63411	Sterimol/B3: 4.82916
Sterimol/B4: 4.84649	Sterimol/L: 20.3874

Surface and Volume Properties
Accessible surface: 655.534	Positive charged surface: 398.59	Negative charged surface: 245.054	Volume: 360.75
Hydrophobic surface: 567.889	Hydrophilic surface: 87.645

Pharmacophoric Properties
Hydrogen bond donors: 1	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.