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MMsINC code: MMs00883185

Type: Neutral
Formula: C₂₄H₃₀N₂O

SMILES:

O=C(NC1CCN(CC1)Cc1ccccc1)C1(CCCC1)c1ccccc1

InChI:

InChI=1/C24H30N2O/c27-23(24(15-7-8-16-24)21-11-5-2-6-12-21)25-22-13-17-26(18-14-22)19-20-9-3-1-4-10-20/h1-6,9-12,22H,7-8,13-19H2,(H,25,27)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=87.6052 kcal/mol

Physical Properties
Molecular Weight: 362.517 g/mol	logS: -5.14259	SlogP: 4.5456	Reactive groups: 0

Topological Properties
Globularity: 0.0782292	Sterimol/B1: 3.55234	Sterimol/B2: 4.02764	Sterimol/B3: 4.46351
Sterimol/B4: 6.61721	Sterimol/L: 16.6971

Surface and Volume Properties
Accessible surface: 647.423	Positive charged surface: 430.74	Negative charged surface: 216.683	Volume: 383.25
Hydrophobic surface: 616.872	Hydrophilic surface: 30.551

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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

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Ions/Tautomers related molecules

MMs00883186
CHEMDIV-ZINC02505927