MMsINC Database Search


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

MMsINC code: MMs02693151

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O=C(N(Cc1ccccc1)C)c1cc(cc(c1)C)C

InChI:

InChI=1/C17H19NO/c1-13-9-14(2)11-16(10-13)17(19)18(3)12-15-7-5-4-6-8-15/h4-11H,12H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.5167 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -4.14076	SlogP: 3.84204	Reactive groups: 0

Topological Properties
Globularity: 0.0993846	Sterimol/B1: 2.1818	Sterimol/B2: 3.45004	Sterimol/B3: 4.24475
Sterimol/B4: 7.28522	Sterimol/L: 13.2615

Surface and Volume Properties
Accessible surface: 506.342	Positive charged surface: 319.573	Negative charged surface: 186.769	Volume: 270.5
Hydrophobic surface: 472.169	Hydrophilic surface: 34.173

Pharmacophoric Properties
Hydrogen bond donors: 0	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.