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MMsINC code: MMs01060041

Type: Neutral
Formula: C₂₄H₂₉N₃O₂

SMILES:

O1CCN(CC1)CCNC(=O)c1cc2c(n(Cc3ccccc3)c(C)c2C)cc1

InChI:

InChI=1/C24H29N3O2/c1-18-19(2)27(17-20-6-4-3-5-7-20)23-9-8-21(16-22(18)23)24(28)25-10-11-26-12-14-29-15-13-26/h3-9,16H,10-15,17H2,1-2H3,(H,25,28)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=101.088 kcal/mol

Physical Properties
Molecular Weight: 391.515 g/mol	logS: -4.14605	SlogP: 3.63484	Reactive groups: 0

Topological Properties
Globularity: 0.0312248	Sterimol/B1: 2.28376	Sterimol/B2: 2.6386	Sterimol/B3: 4.67041
Sterimol/B4: 9.65452	Sterimol/L: 19.8716

Surface and Volume Properties
Accessible surface: 699.035	Positive charged surface: 481.389	Negative charged surface: 211.841	Volume: 399
Hydrophobic surface: 624.951	Hydrophilic surface: 74.084

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 3	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

MMs01060042
CHEMDIV-ZINC06913189