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MMsINC code: MMs02536459

Type: Neutral
Formula: C₁₉H₂₄N₂O

SMILES:

O=C(N1CCC(CC1)C)C(n1cccc1)Cc1ccccc1

InChI:

InChI=1/C19H24N2O/c1-16-9-13-21(14-10-16)19(22)18(20-11-5-6-12-20)15-17-7-3-2-4-8-17/h2-8,11-12,16,18H,9-10,13-15H2,1H3/t18-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=64.1497 kcal/mol

Physical Properties
Molecular Weight: 296.414 g/mol	logS: -2.88743	SlogP: 3.62587	Reactive groups: 0

Topological Properties
Globularity: 0.109801	Sterimol/B1: 3.3343	Sterimol/B2: 4.08359	Sterimol/B3: 4.10501
Sterimol/B4: 5.16745	Sterimol/L: 15.5948

Surface and Volume Properties
Accessible surface: 535.734	Positive charged surface: 370.239	Negative charged surface: 165.495	Volume: 313.375
Hydrophobic surface: 481.872	Hydrophilic surface: 53.862

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.