MMsINC Database Search


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MMsINC code: MMs02881593

Type: Neutral
Formula: C₂₄H₂₇NO₂

SMILES:

O(CCNC(=O)Cc1c2c(ccc1)cccc2)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H27NO2/c1-24(2,3)20-11-13-21(14-12-20)27-16-15-25-23(26)17-19-9-6-8-18-7-4-5-10-22(18)19/h4-14H,15-17H2,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=108.147 kcal/mol

Physical Properties
Molecular Weight: 361.485 g/mol	logS: -7.33466	SlogP: 4.87497	Reactive groups: 0

Topological Properties
Globularity: 0.0346375	Sterimol/B1: 3.03188	Sterimol/B2: 3.77933	Sterimol/B3: 4.56249
Sterimol/B4: 5.58791	Sterimol/L: 20.2634

Surface and Volume Properties
Accessible surface: 686.948	Positive charged surface: 432.428	Negative charged surface: 246.489	Volume: 377.125
Hydrophobic surface: 593.21	Hydrophilic surface: 93.738

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.