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MMsINC code: MMs02140892

Type: Neutral
Formula: C₁₇H₂₃N₃O₂

SMILES:

O(C)c1cc2cc([nH]c2cc1)C(=O)N(C)C1CCN(CC1)C

InChI:

InChI=1/C17H23N3O2/c1-19-8-6-13(7-9-19)20(2)17(21)16-11-12-10-14(22-3)4-5-15(12)18-16/h4-5,10-11,13,18H,6-9H2,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=69.6473 kcal/mol

Physical Properties
Molecular Weight: 301.39 g/mol	logS: -2.36849	SlogP: 2.3427	Reactive groups: 0

Topological Properties
Globularity: 0.0352242	Sterimol/B1: 3.50105	Sterimol/B2: 3.50562	Sterimol/B3: 3.60364
Sterimol/B4: 4.61997	Sterimol/L: 19.2799

Surface and Volume Properties
Accessible surface: 557.397	Positive charged surface: 426.038	Negative charged surface: 125.885	Volume: 303.625
Hydrophobic surface: 502.877	Hydrophilic surface: 54.52

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

MMs02140893
MAYBRIDGE-ZINC00147249