MMsINC Database Search


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MMsINC code: MMs02201259

Type: Neutral
Formula: C₂₅H₂₉NO

SMILES:

O=C(Nc1cc2c(cc1)cccc2)c1cc(cc(c1)C(C)(C)C)C(C)(C)C

InChI:

InChI=1/C25H29NO/c1-24(2,3)20-13-19(14-21(16-20)25(4,5)6)23(27)26-22-12-11-17-9-7-8-10-18(17)15-22/h7-16H,1-6H3,(H,26,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=126.122 kcal/mol

Physical Properties
Molecular Weight: 359.513 g/mol	logS: -9.27191	SlogP: 6.6871	Reactive groups: 0

Topological Properties
Globularity: 0.0541769	Sterimol/B1: 2.37949	Sterimol/B2: 3.38279	Sterimol/B3: 4.33265
Sterimol/B4: 9.73525	Sterimol/L: 17.0811

Surface and Volume Properties
Accessible surface: 660.99	Positive charged surface: 396.929	Negative charged surface: 253.63	Volume: 385.125
Hydrophobic surface: 527.253	Hydrophilic surface: 133.737

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

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Ions/Tautomers related molecules: no related molecules available.