MMsINC Database Search


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MMsINC code: MMs01176983

Type: Neutral
Formula: C₁₇H₁₉NO

SMILES:

O=C(N(C(C)c1ccccc1)Cc1ccccc1)C

InChI:

InChI=1/C17H19NO/c1-14(17-11-7-4-8-12-17)18(15(2)19)13-16-9-5-3-6-10-16/h3-12,14H,13H2,1-2H3/t14-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7787 kcal/mol

Physical Properties
Molecular Weight: 253.345 g/mol	logS: -3.52749	SlogP: 4.1582	Reactive groups: 0

Topological Properties
Globularity: 0.368744	Sterimol/B1: 2.1274	Sterimol/B2: 3.24811	Sterimol/B3: 6.33477
Sterimol/B4: 6.3769	Sterimol/L: 11.6124

Surface and Volume Properties
Accessible surface: 456.961	Positive charged surface: 279.389	Negative charged surface: 177.572	Volume: 268.125
Hydrophobic surface: 404.822	Hydrophilic surface: 52.139

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.