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MMsINC code: MMs01830219

Type: Neutral
Formula: C₂₄H₂₈N₂O

SMILES:

O=C(CN1CCC(CC1)Cc1ccccc1)c1c2c([nH]c1C)cc(cc2)C

InChI:

InChI=1/C24H28N2O/c1-17-8-9-21-22(14-17)25-18(2)24(21)23(27)16-26-12-10-20(11-13-26)15-19-6-4-3-5-7-19/h3-9,14,20,25H,10-13,15-16H2,1-2H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=95.1742 kcal/mol

Physical Properties
Molecular Weight: 360.501 g/mol	logS: -5.43642	SlogP: 4.92211	Reactive groups: 0

Topological Properties
Globularity: 0.0471343	Sterimol/B1: 3.48145	Sterimol/B2: 3.67869	Sterimol/B3: 4.24162
Sterimol/B4: 6.31939	Sterimol/L: 19.9033

Surface and Volume Properties
Accessible surface: 668.639	Positive charged surface: 428.849	Negative charged surface: 234.652	Volume: 381
Hydrophobic surface: 614.144	Hydrophilic surface: 54.495

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

MMs01830220
IBS-ZINC02314344