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MMsINC code: MMs03235300

Type: Neutral
Formula: C₁₉H₂₄N₂O₃

SMILES:

OC(=O)C1N(C(=O)CC)C(c2[nH]c3c(c2C1)cccc3)CCCC

InChI:

InChI=1/C19H24N2O3/c1-3-5-10-15-18-13(12-8-6-7-9-14(12)20-18)11-16(19(23)24)21(15)17(22)4-2/h6-9,15-16,20H,3-5,10-11H2,1-2H3,(H,23,24)/t15-,16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=170.817 kcal/mol

Physical Properties
Molecular Weight: 328.412 g/mol	logS: -3.8161	SlogP: 3.74257	Reactive groups: 0

Topological Properties
Globularity: 0.158794	Sterimol/B1: 2.02018	Sterimol/B2: 2.48076	Sterimol/B3: 5.77506
Sterimol/B4: 9.05071	Sterimol/L: 14.51

Surface and Volume Properties
Accessible surface: 549.668	Positive charged surface: 357.123	Negative charged surface: 187.23	Volume: 318.625
Hydrophobic surface: 401.02	Hydrophilic surface: 148.648

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	Acid groups: 0	Basic groups: 0
Chiral centers: 2

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

MMs03235301
PUBCHEM-ZINC05298597