MMsINC Database Search


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

MMsINC code: MMs02641130

Type: Neutral
Formula: C₂₀H₁₉NO₂

SMILES:

o1cccc1C(=O)NC(Cc1ccccc1)Cc1ccccc1

InChI:

InChI=1/C20H19NO2/c22-20(19-12-7-13-23-19)21-18(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-13,18H,14-15H2,(H,21,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=73.0499 kcal/mol

Physical Properties
Molecular Weight: 305.377 g/mol	logS: -4.94132	SlogP: 3.86334	Reactive groups: 0

Topological Properties
Globularity: 0.151436	Sterimol/B1: 2.62139	Sterimol/B2: 4.82082	Sterimol/B3: 5.23767
Sterimol/B4: 6.38927	Sterimol/L: 14.0047

Surface and Volume Properties
Accessible surface: 554.746	Positive charged surface: 313.518	Negative charged surface: 241.228	Volume: 312
Hydrophobic surface: 530.035	Hydrophilic surface: 24.711

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: 0	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.