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MMsINC code: MMs03029584

Type: Neutral
Formula: C₂₄H₂₅N₃O₂

SMILES:

O=C(c1ccccc1)c1n(ccc1)C(C(=O)N1CCN(CC1)C)c1ccccc1

InChI:

InChI=1/C24H25N3O2/c1-25-15-17-26(18-16-25)24(29)22(19-9-4-2-5-10-19)27-14-8-13-21(27)23(28)20-11-6-3-7-12-20/h2-14,22H,15-18H2,1H3/t22-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=136.068 kcal/mol

Physical Properties
Molecular Weight: 387.483 g/mol	logS: -3.82905	SlogP: 3.178	Reactive groups: 0

Topological Properties
Globularity: 0.150564	Sterimol/B1: 3.0762	Sterimol/B2: 4.54081	Sterimol/B3: 5.12495
Sterimol/B4: 7.90548	Sterimol/L: 17.3848

Surface and Volume Properties
Accessible surface: 649.077	Positive charged surface: 429.621	Negative charged surface: 219.456	Volume: 387.75
Hydrophobic surface: 596.704	Hydrophilic surface: 52.373

Pharmacophoric Properties
Hydrogen bond donors: 0	Hydrogen bond acceptors: 3	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

MMs03029585
PUBCHEM-ZINC03635573