MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs00355307

Type: Neutral
Formula: C₂₄H₂₅NO

SMILES:

O=C(NC(c1ccccc1)c1ccccc1)c1ccc(cc1)C(C)(C)C

InChI:

InChI=1/C24H25NO/c1-24(2,3)21-16-14-20(15-17-21)23(26)25-22(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-17,22H,1-3H3,(H,25,26)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=97.4963 kcal/mol

Physical Properties
Molecular Weight: 343.47 g/mol	logS: -7.08639	SlogP: 5.599	Reactive groups: 0

Topological Properties
Globularity: 0.0980279	Sterimol/B1: 2.71236	Sterimol/B2: 5.11991	Sterimol/B3: 5.50453
Sterimol/B4: 6.45468	Sterimol/L: 15.9602

Surface and Volume Properties
Accessible surface: 635.879	Positive charged surface: 363.528	Negative charged surface: 272.35	Volume: 365.625
Hydrophobic surface: 554.654	Hydrophilic surface: 81.225

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.